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Database: PDB
Entry: 2GAQ
LinkDB: 2GAQ
Original site: 2GAQ 
HEADER    TRANSFERASE                             09-MAR-06   2GAQ              
TITLE     NMR SOLUTION STRUCTURE OF THE FRB DOMAIN OF MTOR                      
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: FKBP12-RAPAMYCIN COMPLEX-ASSOCIATED PROTEIN;               
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: FRB DOMAIN;                                                
COMPND   5 SYNONYM: FK506-BINDING PROTEIN 12- RAPAMYCIN COMPLEX-                
COMPND   6 ASSOCIATED PROTEIN 1, RAPAMYCIN TARGET PROTEIN, RAPT1,               
COMPND   7 MAMMALIAN TARGET OF RAPAMYCIN, MTOR;                                 
COMPND   8 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 GENE: FRAP1, FRAP, FRAP2;                                            
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21;                            
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 511693;                                     
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21                                       
KEYWDS    FOUR HELICAL UP AND DOWN BUNDLE, TRANSFERASE                          
EXPDTA    SOLUTION NMR                                                          
NUMMDL    19                                                                    
AUTHOR    M.LEONE,M.PELLECCHIA                                                  
REVDAT   3   24-FEB-09 2GAQ    1       VERSN                                    
REVDAT   2   05-SEP-06 2GAQ    1       JRNL                                     
REVDAT   1   08-AUG-06 2GAQ    0                                                
JRNL        AUTH   M.LEONE,K.J.CROWELL,J.CHEN,D.JUNG,G.G.CHIANG,                
JRNL        AUTH 2 S.SARETH,R.T.ABRAHAM,M.PELLECCHIA                            
JRNL        TITL   THE FRB DOMAIN OF MTOR: NMR SOLUTION STRUCTURE AND           
JRNL        TITL 2 INHIBITOR DESIGN.                                            
JRNL        REF    BIOCHEMISTRY                  V.  45 10294 2006              
JRNL        REFN                   ISSN 0006-2960                               
JRNL        PMID   16922504                                                     
JRNL        DOI    10.1021/BI060976+                                            
REMARK   1                                                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : GROMOS 96                                            
REMARK   3   AUTHORS     : VAN GUNSTEREN                                        
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 2GAQ COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 13-MAR-06.                  
REMARK 100 THE RCSB ID CODE IS RCSB036898.                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 283                                
REMARK 210  PH                             : 7.4                                
REMARK 210  IONIC STRENGTH                 : 20 MM PBS 1 MM DTT                 
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 0.5 MM FRB U-15N; 0.5 MM FRB       
REMARK 210                                   U-15N; 0.6 MM FRB U-15N, U-13C     
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D NOESY, 2D TOCSY, 3D_15N-        
REMARK 210                                   SEPARATED_NOESY, 3D-(1H,1H,        
REMARK 210                                   15N) -TOCSY, HNCA                  
REMARK 210  SPECTROMETER FIELD STRENGTH    : 600 MHZ                            
REMARK 210  SPECTROMETER MODEL             : AVANCE                             
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : DYANA 1.5                          
REMARK 210   METHOD USED                   : TORSION ANGLE DYNAMICS             
REMARK 210                                   ENERGY MINIMIZATION                
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 100                                
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 19                                 
REMARK 210 CONFORMERS, SELECTION CRITERIA  : STRUCTURES WITH THE LEAST          
REMARK 210                                   RESTRAINT VIOLATIONS               
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1                   
REMARK 210                                                                      
REMARK 210 REMARK: NULL                                                         
REMARK 215                                                                      
REMARK 215 NMR STUDY                                                            
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION           
REMARK 215 NMR DATA.  PROTEIN DATA BANK CONVENTIONS REQUIRE THAT                
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON              
REMARK 215 THESE RECORDS ARE MEANINGLESS.                                       
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES                                       
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)              
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3                                     
REMARK 500  3 TYR A  74   CB  -  CG  -  CD2 ANGL. DEV. =  -3.6 DEGREES          
REMARK 500 12 TYR A  74   CB  -  CG  -  CD2 ANGL. DEV. =  -3.7 DEGREES          
REMARK 500 13 TYR A  90   CB  -  CG  -  CD2 ANGL. DEV. =  -3.7 DEGREES          
REMARK 500 16 TYR A  90   CB  -  CG  -  CD2 ANGL. DEV. =  -3.6 DEGREES          
REMARK 500 18 TYR A  90   CB  -  CG  -  CD2 ANGL. DEV. =  -3.6 DEGREES          
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500  1 ARG A   4      -70.80   -136.28                                   
REMARK 500  1 ILE A   7      -90.02    -59.33                                   
REMARK 500  1 LEU A   8      147.77     56.56                                   
REMARK 500  1 ALA A  20      -61.70    -94.68                                   
REMARK 500  1 GLN A  49      -87.67    -97.33                                   
REMARK 500  1 THR A  50     -101.30    -64.29                                   
REMARK 500  1 LEU A  51       36.75   -176.92                                   
REMARK 500  1 THR A  54       47.32   -150.18                                   
REMARK 500  1 PHE A  56      -45.56   -134.42                                   
REMARK 500  1 ASP A  63     -145.66    -59.28                                   
REMARK 500  1 TRP A  70       48.03    -72.44                                   
REMARK 500  2 LEU A   2       92.35    -46.03                                   
REMARK 500  2 ARG A   4      -44.84   -162.15                                   
REMARK 500  2 ILE A   7       73.46     27.82                                   
REMARK 500  2 GLN A  49     -109.14    -97.79                                   
REMARK 500  2 THR A  50      -78.88    -49.51                                   
REMARK 500  2 LEU A  51       37.92    156.55                                   
REMARK 500  2 THR A  54       62.87   -162.83                                   
REMARK 500  2 TYR A  60       40.53    -71.39                                   
REMARK 500  2 ASP A  63     -134.10    -77.73                                   
REMARK 500  2 TRP A  70       47.87    -79.68                                   
REMARK 500  2 LYS A  76      -30.21    174.16                                   
REMARK 500  2 ASN A  79     -171.48     56.24                                   
REMARK 500  2 LYS A  99       50.51   -169.00                                   
REMARK 500  3 LEU A   2       66.99     39.77                                   
REMARK 500  3 ARG A   4      -43.05   -167.36                                   
REMARK 500  3 ALA A   6       71.65     70.36                                   
REMARK 500  3 LEU A   8      168.05     55.83                                   
REMARK 500  3 MET A  43        0.72    -69.99                                   
REMARK 500  3 PRO A  48     -170.05    -68.45                                   
REMARK 500  3 GLN A  49      -83.35   -126.39                                   
REMARK 500  3 THR A  50      -93.80    -57.64                                   
REMARK 500  3 LEU A  51       35.72    177.35                                   
REMARK 500  3 THR A  54       46.89   -161.50                                   
REMARK 500  3 PHE A  56      -53.30   -139.47                                   
REMARK 500  3 TYR A  60       81.74   -153.71                                   
REMARK 500  3 ASP A  63     -136.70    -70.32                                   
REMARK 500  3 LEU A  64      -46.96    -24.74                                   
REMARK 500  3 TRP A  70       33.95    -83.63                                   
REMARK 500  4 LEU A   2      156.47     62.16                                   
REMARK 500  4 ARG A   4      -49.32   -154.96                                   
REMARK 500  4 ILE A   7       80.12     30.34                                   
REMARK 500  4 LEU A   8      152.51    -49.96                                   
REMARK 500  4 PRO A  48     -166.62    -75.87                                   
REMARK 500  4 GLN A  49     -152.05   -145.23                                   
REMARK 500  4 THR A  50      -85.24    -35.05                                   
REMARK 500  4 LEU A  51       34.12   -178.87                                   
REMARK 500  4 LYS A  52      -52.13   -121.40                                   
REMARK 500  4 THR A  54       47.66   -155.20                                   
REMARK 500  4 TYR A  60       41.10    -75.21                                   
REMARK 500  4 ASP A  63     -143.82    -66.91                                   
REMARK 500  4 LEU A  64      -49.67    -24.35                                   
REMARK 500  4 TRP A  70       45.49    -64.86                                   
REMARK 500  4 LYS A  99       48.98    174.42                                   
REMARK 500  5 ILE A   3       -8.28     87.39                                   
REMARK 500  5 ARG A   4      -50.84   -133.58                                   
REMARK 500  5 ALA A   6       69.23     66.69                                   
REMARK 500  5 LEU A   8     -139.93     31.92                                   
REMARK 500  5 GLN A  49      -84.61    -83.88                                   
REMARK 500  5 THR A  50      -95.86    -62.36                                   
REMARK 500  5 LEU A  51       37.91    177.12                                   
REMARK 500  5 THR A  54       37.49   -159.35                                   
REMARK 500  5 PHE A  56      -49.31   -130.28                                   
REMARK 500  5 ASP A  63     -144.71    -80.16                                   
REMARK 500  5 SER A  98      -82.89    -63.97                                   
REMARK 500  5 LYS A  99       51.71   -166.58                                   
REMARK 500  6 ARG A   4       45.63   -140.40                                   
REMARK 500  6 ILE A   7       59.69    -90.32                                   
REMARK 500  6 ASN A  29       76.68   -113.71                                   
REMARK 500  6 GLN A  49      -86.47     62.01                                   
REMARK 500  6 THR A  50     -102.37    -59.33                                   
REMARK 500  6 LEU A  51       37.33    174.86                                   
REMARK 500  6 THR A  54       63.12   -170.83                                   
REMARK 500  6 TYR A  60       38.49    -76.99                                   
REMARK 500  6 ASP A  63     -132.06    -94.35                                   
REMARK 500  6 TRP A  70       44.27    -76.88                                   
REMARK 500  6 PHE A  94      -37.21    -38.91                                   
REMARK 500  6 LYS A  99       55.14   -172.28                                   
REMARK 500  7 LEU A   2       70.42     31.88                                   
REMARK 500  7 ARG A   4      -41.67   -131.95                                   
REMARK 500  7 ILE A   7       80.37     32.92                                   
REMARK 500  7 ALA A  20      -65.59    -92.50                                   
REMARK 500  7 GLU A  27       20.64   -142.35                                   
REMARK 500  7 ARG A  28       33.37     38.73                                   
REMARK 500  7 GLN A  49      -91.66    -87.06                                   
REMARK 500  7 THR A  50      -94.12    -61.84                                   
REMARK 500  7 LEU A  51       37.68    170.78                                   
REMARK 500  7 THR A  54       39.14   -160.03                                   
REMARK 500  7 TYR A  60       40.97    -85.79                                   
REMARK 500  7 ASP A  63     -164.81   -101.19                                   
REMARK 500  7 LEU A  64      -84.43     35.98                                   
REMARK 500  7 TRP A  70       49.35    -68.50                                   
REMARK 500  7 SER A  98      -71.19    -59.56                                   
REMARK 500  7 LYS A  99       53.80    179.43                                   
REMARK 500  8 LEU A   2       74.98     33.29                                   
REMARK 500  8 ARG A   4      -63.85   -140.14                                   
REMARK 500  8 ILE A   7       72.18     28.99                                   
REMARK 500  8 LEU A   8     -159.82    -64.53                                   
REMARK 500  8 GLU A  27      -36.37   -164.19                                   
REMARK 500  8 ARG A  28       39.80     71.06                                   
REMARK 500  8 PRO A  48     -169.90    -68.81                                   
REMARK 500  8 GLN A  49      -59.89   -134.61                                   
REMARK 500  8 THR A  50     -102.87    -72.99                                   
REMARK 500  8 LEU A  51       36.77    177.82                                   
REMARK 500  8 THR A  54       38.76   -159.55                                   
REMARK 500  8 PHE A  56      -51.94   -131.00                                   
REMARK 500  8 TYR A  60       77.74   -150.15                                   
REMARK 500  8 ASP A  63     -142.74    -61.50                                   
REMARK 500  8 LEU A  64      -34.99    -36.63                                   
REMARK 500  8 TRP A  70       44.36    -77.50                                   
REMARK 500  9 ARG A   4      -50.59   -126.37                                   
REMARK 500  9 ILE A   7       83.75     33.40                                   
REMARK 500  9 LEU A   8     -173.52    -66.05                                   
REMARK 500  9 HIS A  14      -71.10    -48.61                                   
REMARK 500  9 GLN A  49     -173.37    -60.31                                   
REMARK 500  9 THR A  50     -101.15    -60.76                                   
REMARK 500  9 LEU A  51       39.55   -166.89                                   
REMARK 500  9 GLU A  53       63.94   -112.72                                   
REMARK 500  9 THR A  54       59.80   -166.97                                   
REMARK 500  9 TYR A  60       43.01    -71.64                                   
REMARK 500  9 ASP A  63     -140.36    -92.12                                   
REMARK 500  9 TRP A  70       36.82    -81.73                                   
REMARK 500  9 LYS A  99       50.41   -167.88                                   
REMARK 500 10 LEU A   2       82.93     35.67                                   
REMARK 500 10 ARG A   4      -45.36   -164.91                                   
REMARK 500 10 ALA A   6       16.60     58.70                                   
REMARK 500 10 LEU A   8      179.16     52.78                                   
REMARK 500 10 GLU A  27      -37.16   -133.08                                   
REMARK 500 10 GLN A  49      -94.81    -96.78                                   
REMARK 500 10 THR A  50      -96.20    -68.41                                   
REMARK 500 10 LEU A  51       38.47   -179.43                                   
REMARK 500 10 LYS A  52      -53.09   -122.90                                   
REMARK 500 10 THR A  54       46.82   -167.77                                   
REMARK 500 10 TYR A  60       52.94   -114.06                                   
REMARK 500 10 ASP A  63     -137.83    -84.67                                   
REMARK 500 10 LEU A  64      -48.51    -22.68                                   
REMARK 500 10 TRP A  70       51.16    -63.48                                   
REMARK 500 10 PHE A  94      -36.18    -38.81                                   
REMARK 500 11 LEU A   2      168.57     59.13                                   
REMARK 500 11 ARG A   4      -50.13   -160.20                                   
REMARK 500 11 ILE A   7       85.37     30.50                                   
REMARK 500 11 ARG A  28       29.23     44.18                                   
REMARK 500 11 GLN A  49      -83.80   -107.59                                   
REMARK 500 11 THR A  50      -89.54    -54.19                                   
REMARK 500 11 LEU A  51       39.92    163.48                                   
REMARK 500 11 THR A  54       46.85   -161.62                                   
REMARK 500 11 TYR A  60       43.24    -87.09                                   
REMARK 500 11 ASP A  63     -140.54    -86.50                                   
REMARK 500 11 TRP A  70       47.08    -63.99                                   
REMARK 500 11 PHE A  94      -88.31     17.50                                   
REMARK 500 12 LEU A   2       90.80    -27.84                                   
REMARK 500 12 ARG A   4      -54.47   -135.96                                   
REMARK 500 12 ALA A   6       63.86     60.69                                   
REMARK 500 12 LEU A   8     -172.03    -67.00                                   
REMARK 500 12 TYR A  24      -74.70   -106.00                                   
REMARK 500 12 ARG A  28       32.69     38.04                                   
REMARK 500 12 PRO A  48     -174.29    -67.07                                   
REMARK 500 12 GLN A  49      -49.80   -130.18                                   
REMARK 500 12 LEU A  51       41.51    161.72                                   
REMARK 500 12 THR A  54       56.84   -164.89                                   
REMARK 500 12 ALA A  59      -55.28   -121.51                                   
REMARK 500 12 TYR A  60       39.70    -77.00                                   
REMARK 500 12 ASP A  63     -138.61    -87.50                                   
REMARK 500 12 LEU A  64      -38.76    -38.42                                   
REMARK 500 12 TRP A  70       55.12    -66.40                                   
REMARK 500 12 VAL A  80       -9.21    -59.04                                   
REMARK 500 12 ARG A  96      -71.01    -67.84                                   
REMARK 500 12 SER A  98      -77.27    -55.09                                   
REMARK 500 12 LYS A  99       44.85   -172.35                                   
REMARK 500 13 LEU A   2       91.35    -48.73                                   
REMARK 500 13 ARG A   4      -55.09   -154.29                                   
REMARK 500 13 ILE A   7       59.18   -101.15                                   
REMARK 500 13 THR A  50     -106.37    -85.93                                   
REMARK 500 13 LEU A  51       35.80   -177.65                                   
REMARK 500 13 THR A  54       29.12   -163.13                                   
REMARK 500 13 ALA A  59      -80.20   -109.49                                   
REMARK 500 13 TYR A  60       73.86     24.29                                   
REMARK 500 13 ASP A  63      113.97     69.07                                   
REMARK 500 13 TRP A  70       40.20    -85.35                                   
REMARK 500 13 LYS A  76      -30.28    172.78                                   
REMARK 500 13 ASN A  79     -172.84     57.54                                   
REMARK 500 13 SER A  98      -80.51    -82.48                                   
REMARK 500 13 LYS A  99       43.28   -164.16                                   
REMARK 500 14 LEU A   2       56.78    -69.08                                   
REMARK 500 14 ILE A   3       18.50   -151.48                                   
REMARK 500 14 ARG A   4      -52.83   -154.51                                   
REMARK 500 14 VAL A   5       61.19   -169.42                                   
REMARK 500 14 ILE A   7       76.99     36.05                                   
REMARK 500 14 ARG A  28       35.50     38.91                                   
REMARK 500 14 ASN A  29       74.08   -104.44                                   
REMARK 500 14 PRO A  48     -170.65    -67.47                                   
REMARK 500 14 GLN A  49      -88.72   -138.59                                   
REMARK 500 14 THR A  50      -94.12    -50.00                                   
REMARK 500 14 LEU A  51       35.55    172.40                                   
REMARK 500 14 THR A  54       53.36   -165.12                                   
REMARK 500 14 TYR A  60       40.29    -84.60                                   
REMARK 500 14 ASP A  63     -138.84    -87.18                                   
REMARK 500 14 LEU A  64      -51.59    -19.84                                   
REMARK 500 15 LEU A   2     -175.94     53.46                                   
REMARK 500 15 ILE A   3      -22.97     74.46                                   
REMARK 500 15 ARG A   4       44.21   -176.88                                   
REMARK 500 15 VAL A   5      -38.37   -173.15                                   
REMARK 500 15 ILE A   7       76.97     38.88                                   
REMARK 500 15 LEU A   8     -158.08    -78.15                                   
REMARK 500 15 GLN A  49      -76.96    -98.69                                   
REMARK 500 15 THR A  50      -97.42    -63.09                                   
REMARK 500 15 LEU A  51       36.89    173.96                                   
REMARK 500 15 THR A  54       52.79   -172.18                                   
REMARK 500 15 ASP A  63     -136.07    -56.97                                   
REMARK 500 15 TRP A  70       45.97    -87.18                                   
REMARK 500 15 PHE A  94      -89.20      5.76                                   
REMARK 500 15 SER A  98      -76.10    -74.63                                   
REMARK 500 15 LYS A  99       51.19   -168.21                                   
REMARK 500 16 VAL A   5       27.41   -162.76                                   
REMARK 500 16 LEU A   8     -158.76     47.36                                   
REMARK 500 16 GLN A  49      -86.47   -102.45                                   
REMARK 500 16 THR A  50      -97.10    -63.72                                   
REMARK 500 16 LEU A  51       37.62   -178.56                                   
REMARK 500 16 THR A  54       55.57   -162.95                                   
REMARK 500 16 ALA A  59      -59.17   -120.07                                   
REMARK 500 16 TYR A  60       39.76    -72.09                                   
REMARK 500 16 ASP A  63     -125.41    -80.49                                   
REMARK 500 16 TRP A  70       21.84    -73.68                                   
REMARK 500 16 LYS A  99       45.71   -143.89                                   
REMARK 500 17 LEU A   2       77.27     32.24                                   
REMARK 500 17 ILE A   3      -51.49   -146.11                                   
REMARK 500 17 ILE A   7      -52.48     64.92                                   
REMARK 500 17 LEU A   8      133.49     56.34                                   
REMARK 500 17 ASN A  29       77.73   -106.36                                   
REMARK 500 17 GLN A  49      -88.60    -94.56                                   
REMARK 500 17 THR A  50     -100.29    -55.43                                   
REMARK 500 17 LEU A  51       36.10    178.38                                   
REMARK 500 17 THR A  54       41.67   -151.75                                   
REMARK 500 17 ALA A  59      -52.30   -121.78                                   
REMARK 500 17 TYR A  60       44.28    -81.59                                   
REMARK 500 17 ASP A  63     -135.58    -68.77                                   
REMARK 500 18 ARG A   4      -48.30   -165.94                                   
REMARK 500 18 ILE A   7       73.75     37.20                                   
REMARK 500 18 THR A  50     -106.78    -92.24                                   
REMARK 500 18 LEU A  51       37.30   -175.84                                   
REMARK 500 18 THR A  54       39.60   -160.25                                   
REMARK 500 18 ASP A  63     -138.05    -69.45                                   
REMARK 500 18 LEU A  64      -39.16    -34.27                                   
REMARK 500 18 LYS A  99       62.01    179.55                                   
REMARK 500 19 LEU A   2       79.91    -39.03                                   
REMARK 500 19 ILE A   3       48.17   -149.20                                   
REMARK 500 19 ARG A   4      -57.42    179.57                                   
REMARK 500 19 LEU A   8     -173.68     43.80                                   
REMARK 500 19 GLN A  49      -91.19   -118.66                                   
REMARK 500 19 THR A  50      -91.61    -56.32                                   
REMARK 500 19 LEU A  51       39.23    174.94                                   
REMARK 500 19 GLU A  53       49.91    -84.16                                   
REMARK 500 19 THR A  54       51.29   -157.13                                   
REMARK 500 19 TYR A  60       41.98    -73.25                                   
REMARK 500 19 ASP A  63     -137.68    -76.05                                   
REMARK 500 19 LEU A  64      -50.11    -20.04                                   
REMARK 500 19 MET A  75      -60.11    -92.57                                   
REMARK 500 19 LYS A  99       47.81   -157.63                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: PLANAR GROUPS                                              
REMARK 500                                                                      
REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL                 
REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE                    
REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN                    
REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS                        
REMARK 500 AN RMSD GREATER THAN THIS VALUE                                      
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        RMS     TYPE                                    
REMARK 500  1 TYR A  74         0.06    SIDE_CHAIN                              
REMARK 500  3 TYR A  24         0.07    SIDE_CHAIN                              
REMARK 500  3 TYR A  74         0.11    SIDE_CHAIN                              
REMARK 500  3 TYR A  90         0.06    SIDE_CHAIN                              
REMARK 500  4 TYR A  24         0.07    SIDE_CHAIN                              
REMARK 500  5 TYR A  74         0.06    SIDE_CHAIN                              
REMARK 500  8 TYR A  24         0.10    SIDE_CHAIN                              
REMARK 500  9 TYR A  24         0.08    SIDE_CHAIN                              
REMARK 500  9 TYR A  74         0.10    SIDE_CHAIN                              
REMARK 500 10 TYR A  60         0.07    SIDE_CHAIN                              
REMARK 500 11 TYR A  74         0.11    SIDE_CHAIN                              
REMARK 500 11 TYR A  90         0.11    SIDE_CHAIN                              
REMARK 500 12 TYR A  60         0.06    SIDE_CHAIN                              
REMARK 500 15 TYR A  60         0.06    SIDE_CHAIN                              
REMARK 500 17 TYR A  60         0.06    SIDE_CHAIN                              
REMARK 500 18 TYR A  24         0.09    SIDE_CHAIN                              
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY                                       
REMARK 500                                                                      
REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY                       
REMARK 500 TORSION, C(I) - CA(I) - N(I+1) - O(I), GREATER                       
REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME;                     
REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;                            
REMARK 500 I=INSERTION CODE).                                                   
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        ANGLE                                           
REMARK 500  1 ALA A  86        -10.16                                           
REMARK 500  2 LEU A  17        -10.01                                           
REMARK 500  3 LEU A  17        -11.91                                           
REMARK 500  3 LEU A  64        -11.82                                           
REMARK 500  4 TRP A  87        -10.14                                           
REMARK 500  5 LEU A  17        -10.28                                           
REMARK 500  5 CYS A  71        -12.13                                           
REMARK 500  5 ALA A  86        -10.74                                           
REMARK 500  5 LEU A  89        -10.81                                           
REMARK 500  7 TRP A  13        -11.77                                           
REMARK 500  8 SER A  21        -11.56                                           
REMARK 500 10 CYS A  71        -11.33                                           
REMARK 500 10 LYS A  73        -10.51                                           
REMARK 500 11 TRP A  13        -10.98                                           
REMARK 500 12 LEU A   2         10.83                                           
REMARK 500 12 PHE A  56        -10.11                                           
REMARK 500 12 LYS A  73        -10.43                                           
REMARK 500 13 PHE A  94        -11.75                                           
REMARK 500 14 LEU A  17        -10.86                                           
REMARK 500 14 ASP A  88        -11.60                                           
REMARK 500 15 SER A  21        -11.57                                           
REMARK 500 16 CYS A  71        -12.10                                           
REMARK 500 17 TRP A   9        -11.83                                           
REMARK 500 17 TRP A  13        -10.41                                           
REMARK 500 17 CYS A  71        -12.50                                           
REMARK 500 17 TRP A  87        -10.90                                           
REMARK 500 19 TRP A  13        -11.90                                           
REMARK 500 19 TRP A  87        -11.17                                           
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1FAP   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 1AUE   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 3FAP   RELATED DB: PDB                                   
DBREF  2GAQ A    1   100  UNP    P42345   FRAP_HUMAN    2015   2114             
SEQRES   1 A  100  GLU LEU ILE ARG VAL ALA ILE LEU TRP HIS GLU MET TRP          
SEQRES   2 A  100  HIS GLU GLY LEU GLU GLU ALA SER ARG LEU TYR PHE GLY          
SEQRES   3 A  100  GLU ARG ASN VAL LYS GLY MET PHE GLU VAL LEU GLU PRO          
SEQRES   4 A  100  LEU HIS ALA MET MET GLU ARG GLY PRO GLN THR LEU LYS          
SEQRES   5 A  100  GLU THR SER PHE ASN GLN ALA TYR GLY ARG ASP LEU MET          
SEQRES   6 A  100  GLU ALA GLN GLU TRP CYS ARG LYS TYR MET LYS SER GLY          
SEQRES   7 A  100  ASN VAL LYS ASP LEU THR GLN ALA TRP ASP LEU TYR TYR          
SEQRES   8 A  100  HIS VAL PHE ARG ARG ILE SER LYS GLN                          
HELIX    1   1 LEU A    8  GLY A   26  1                                  19    
HELIX    2   2 ASN A   29  ARG A   46  1                                  18    
HELIX    3   3 ASP A   63  TRP A   70  1                                   8    
HELIX    4   4 TRP A   70  SER A   77  1                                   8    
HELIX    5   5 ASN A   79  ILE A   97  1                                  19    
CRYST1    1.000    1.000    1.000  90.00  90.00  90.00 P 1           1          
ORIGX1      1.000000  0.000000  0.000000        0.00000                         
ORIGX2      0.000000  1.000000  0.000000        0.00000                         
ORIGX3      0.000000  0.000000  1.000000        0.00000                         
SCALE1      1.000000  0.000000  0.000000        0.00000                         
SCALE2      0.000000  1.000000  0.000000        0.00000                         
SCALE3      0.000000  0.000000  1.000000        0.00000                         
MODEL        1                                                                  
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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