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Database: PDB
Entry: 2LVZ
LinkDB: 2LVZ
Original site: 2LVZ 
HEADER    HYDROLASE                               17-JUL-12   2LVZ              
TITLE     SOLUTION STRUCTURE OF A EOSINOPHIL CATIONIC PROTEIN-TRISACCHARIDE     
TITLE    2 HEPARIN MIMETIC COMPLEX                                              
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: EOSINOPHIL CATIONIC PROTEIN;                               
COMPND   3 CHAIN: A;                                                            
COMPND   4 SYNONYM: ECP, RIBONUCLEASE 3, RNASE 3;                               
COMPND   5 EC: 3.1.27.-;                                                        
COMPND   6 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: RNASE3, ECP, RNS3;                                             
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PET11C                                     
KEYWDS    HEPARIN, MOLECULAR RECOGNITION, HYDROLASE                             
EXPDTA    SOLUTION NMR                                                          
NUMMDL    20                                                                    
AUTHOR    M.GARCIA MAYORAL,A.CANALES,D.DIAZ,J.LOPEZ PRADOS,M.MOUSSAOUI,J.DE     
AUTHOR   2 PAZ,J.ANGULO,P.NIETO,J.JIMENEZ BARBERO,E.BOIX,M.BRUIX                
REVDAT   2   29-JUL-20 2LVZ    1       COMPND REMARK SEQADV HETNAM              
REVDAT   2 2                   1       LINK   SITE   ATOM                       
REVDAT   1   31-JUL-13 2LVZ    0                                                
JRNL        AUTH   M.F.GARCIA-MAYORAL,A.CANALES,D.DIAZ,J.LOPEZ-PRADOS,          
JRNL        AUTH 2 M.MOUSSAOUI,J.L.DE PAZ,J.ANGULO,P.M.NIETO,J.JIMENEZ-BARBERO, 
JRNL        AUTH 3 E.BOIX,M.BRUIX                                               
JRNL        TITL   INSIGHTS INTO THE GLYCOSAMINOGLYCAN-MEDIATED CYTOTOXIC       
JRNL        TITL 2 MECHANISM OF EOSINOPHIL CATIONIC PROTEIN REVEALED BY NMR.    
JRNL        REF    ACS CHEM.BIOL.                V.   8   144 2013              
JRNL        REFN                   ISSN 1554-8929                               
JRNL        PMID   23025322                                                     
JRNL        DOI    10.1021/CB300386V                                            
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : AMBER, AMBER                                         
REMARK   3   AUTHORS     : CASE, DARDEN, CHEATHAM, III, SIMMERLING, WANG,       
REMARK   3                 DUKE, LUO, AND KOLLMAN (AMBER), CASE, DARDEN,        
REMARK   3                 CHEATHAM, III, SIMMERLING, WANG, DUKE, LUO, AND      
REMARK   3                 KOLLMAN (AMBER)                                      
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 2LVZ COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 18-JUL-12.                  
REMARK 100 THE DEPOSITION ID IS D_1000102900.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 298                                
REMARK 210  PH                             : 4.0                                
REMARK 210  IONIC STRENGTH                 : 0.3                                
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 0.5 MM [U-13C; U-15N] EOSINOPHIL   
REMARK 210                                   CATIONIC PROTEIN, 0.5 MM HEPARIN   
REMARK 210                                   (3-MER), 100 MM POTASSIUM          
REMARK 210                                   PHOSPHATE, 300 MM POTASSIUM        
REMARK 210                                   CHLORIDE, 90% H2O/10% D2O          
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 3D 1H-13C NOESY ALIPHATIC; 3D 1H   
REMARK 210                                   -15N NOESY; 2D 1H-15N HSQC; 2D     
REMARK 210                                   1H-1H NOESY; 3D CBCA(CO)NH; 3D     
REMARK 210                                   HNCACB; 3D HN(CO)CA; 3D HCCH-      
REMARK 210                                   TOCSY                              
REMARK 210  SPECTROMETER FIELD STRENGTH    : 800 MHZ                            
REMARK 210  SPECTROMETER MODEL             : AVANCE                             
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : CYANA, SPARKY                      
REMARK 210   METHOD USED                   : MOLECULAR DYNAMICS                 
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 100                                
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 20                                 
REMARK 210 CONFORMERS, SELECTION CRITERIA  : STRUCTURES WITH THE LOWEST         
REMARK 210                                   ENERGY                             
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 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B                                  
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS                                             
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.                            
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI           DISTANCE          
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS                                      
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,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)               
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   RES CSSEQI ATM2   DEVIATION                     
REMARK 500  2 TYR A  33   CZ    TYR A  33   CE2     0.084                       
REMARK 500  2 ARG A  61   CZ    ARG A  61   NH1    -0.086                       
REMARK 500  3 HIS A  72   CG    HIS A  72   CD2     0.062                       
REMARK 500  3 PRO A 116   CD    PRO A 116   N      -0.086                       
REMARK 500  4 TYR A 122   CD1   TYR A 122   CE1     0.098                       
REMARK 500  5 ARG A  97   CZ    ARG A  97   NH2    -0.090                       
REMARK 500  5 TYR A  98   CG    TYR A  98   CD2     0.081                       
REMARK 500  6 ARG A  61   CZ    ARG A  61   NH1    -0.098                       
REMARK 500  6 TYR A 122   CE1   TYR A 122   CZ      0.078                       
REMARK 500  6 HIS A 128   CG    HIS A 128   CD2     0.062                       
REMARK 500  7 ARG A  97   CZ    ARG A  97   NH2    -0.092                       
REMARK 500  8 HIS A  64   CG    HIS A  64   CD2     0.060                       
REMARK 500  8 GLY A  89   CA    GLY A  89   C       0.103                       
REMARK 500  8 PRO A 120   N     PRO A 120   CA      0.107                       
REMARK 500 11 ARG A  97   CD    ARG A  97   NE      0.106                       
REMARK 500 12 ARG A  28   CZ    ARG A  28   NH1    -0.079                       
REMARK 500 12 CYS A  62   CB    CYS A  62   SG     -0.104                       
REMARK 500 12 PRO A  63   CD    PRO A  63   N      -0.112                       
REMARK 500 12 ARG A  75   CZ    ARG A  75   NH1    -0.090                       
REMARK 500 12 SER A  94   CA    SER A  94   CB      0.099                       
REMARK 500 12 ARG A  97   CZ    ARG A  97   NH2    -0.079                       
REMARK 500 13 ARG A   1   CZ    ARG A   1   NH1    -0.093                       
REMARK 500 13 ARG A   7   CZ    ARG A   7   NH2    -0.083                       
REMARK 500 14 ARG A  22   CZ    ARG A  22   NH1    -0.094                       
REMARK 500 16 ARG A  28   CZ    ARG A  28   NH1    -0.080                       
REMARK 500 17 TYR A  33   CG    TYR A  33   CD1     0.094                       
REMARK 500 17 TYR A  33   CE1   TYR A  33   CZ      0.082                       
REMARK 500 18 SER A  59   CB    SER A  59   OG      0.082                       
REMARK 500 18 ARG A  75   CZ    ARG A  75   NH1    -0.079                       
REMARK 500 18 ARG A 117   CZ    ARG A 117   NH1    -0.079                       
REMARK 500 19 CYS A  23   CB    CYS A  23   SG     -0.130                       
REMARK 500 19 ARG A  75   NE    ARG A  75   CZ     -0.083                       
REMARK 500 20 HIS A  64   NE2   HIS A  64   CD2    -0.070                       
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
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  1 ARG A   1   NE  -  CZ  -  NH1 ANGL. DEV. =   4.0 DEGREES          
REMARK 500  1 ARG A   1   NE  -  CZ  -  NH2 ANGL. DEV. =  -4.4 DEGREES          
REMARK 500  1 HIS A  15   CB  -  CG  -  CD2 ANGL. DEV. = -10.5 DEGREES          
REMARK 500  1 ARG A  22   NH1 -  CZ  -  NH2 ANGL. DEV. =  -7.2 DEGREES          
REMARK 500  1 ARG A  22   NE  -  CZ  -  NH1 ANGL. DEV. =   8.6 DEGREES          
REMARK 500  1 ARG A  34   NE  -  CZ  -  NH1 ANGL. DEV. =   7.4 DEGREES          
REMARK 500  1 PHE A  43   CB  -  CG  -  CD2 ANGL. DEV. =  -5.1 DEGREES          
REMARK 500  1 ARG A  45   NE  -  CZ  -  NH1 ANGL. DEV. =   3.5 DEGREES          
REMARK 500  1 PHE A  48   CB  -  CG  -  CD1 ANGL. DEV. =  -4.8 DEGREES          
REMARK 500  1 VAL A  51   CA  -  CB  -  CG2 ANGL. DEV. =  10.1 DEGREES          
REMARK 500  1 VAL A  52   CA  -  CB  -  CG1 ANGL. DEV. =  10.2 DEGREES          
REMARK 500  1 VAL A  54   CG1 -  CB  -  CG2 ANGL. DEV. = -11.0 DEGREES          
REMARK 500  1 CYS A  55   CA  -  CB  -  SG  ANGL. DEV. =   7.0 DEGREES          
REMARK 500  1 ARG A  61   NE  -  CZ  -  NH1 ANGL. DEV. =   6.0 DEGREES          
REMARK 500  1 ARG A  66   NE  -  CZ  -  NH2 ANGL. DEV. =   3.4 DEGREES          
REMARK 500  1 ARG A  73   NH1 -  CZ  -  NH2 ANGL. DEV. =  -8.9 DEGREES          
REMARK 500  1 ARG A  73   NE  -  CZ  -  NH2 ANGL. DEV. =   5.3 DEGREES          
REMARK 500  1 ARG A  75   NE  -  CZ  -  NH1 ANGL. DEV. =   5.4 DEGREES          
REMARK 500  1 ARG A  77   NH1 -  CZ  -  NH2 ANGL. DEV. = -12.3 DEGREES          
REMARK 500  1 ARG A  77   NE  -  CZ  -  NH1 ANGL. DEV. =   9.0 DEGREES          
REMARK 500  1 PRO A  79   O   -  C   -  N   ANGL. DEV. = -10.5 DEGREES          
REMARK 500  1 PRO A  88   C   -  N   -  CA  ANGL. DEV. =   9.6 DEGREES          
REMARK 500  1 TYR A  98   CB  -  CG  -  CD2 ANGL. DEV. =   6.3 DEGREES          
REMARK 500  1 ARG A 101   NE  -  CZ  -  NH2 ANGL. DEV. =   3.4 DEGREES          
REMARK 500  1 ARG A 104   NE  -  CZ  -  NH1 ANGL. DEV. =   3.4 DEGREES          
REMARK 500  1 ARG A 105   NE  -  CZ  -  NH1 ANGL. DEV. =   5.9 DEGREES          
REMARK 500  1 ARG A 114   NE  -  CZ  -  NH1 ANGL. DEV. =   6.2 DEGREES          
REMARK 500  1 ARG A 114   NE  -  CZ  -  NH2 ANGL. DEV. =  -3.5 DEGREES          
REMARK 500  1 ARG A 117   NE  -  CZ  -  NH1 ANGL. DEV. =   7.9 DEGREES          
REMARK 500  1 ARG A 117   NE  -  CZ  -  NH2 ANGL. DEV. =  -7.0 DEGREES          
REMARK 500  1 ARG A 121   NE  -  CZ  -  NH2 ANGL. DEV. =   3.8 DEGREES          
REMARK 500  1 TYR A 122   CB  -  CG  -  CD2 ANGL. DEV. =  -3.8 DEGREES          
REMARK 500  2 ARG A   1   CD  -  NE  -  CZ  ANGL. DEV. =  10.0 DEGREES          
REMARK 500  2 ARG A   1   NE  -  CZ  -  NH1 ANGL. DEV. =   4.3 DEGREES          
REMARK 500  2 ARG A   7   NE  -  CZ  -  NH1 ANGL. DEV. =   6.1 DEGREES          
REMARK 500  2 ARG A   7   NE  -  CZ  -  NH2 ANGL. DEV. =  -8.3 DEGREES          
REMARK 500  2 ARG A  22   NE  -  CZ  -  NH2 ANGL. DEV. =   3.7 DEGREES          
REMARK 500  2 TYR A  33   CG  -  CD1 -  CE1 ANGL. DEV. =  -4.8 DEGREES          
REMARK 500  2 ARG A  34   NH1 -  CZ  -  NH2 ANGL. DEV. = -10.6 DEGREES          
REMARK 500  2 ARG A  34   NE  -  CZ  -  NH1 ANGL. DEV. =   5.1 DEGREES          
REMARK 500  2 ARG A  34   NE  -  CZ  -  NH2 ANGL. DEV. =   5.5 DEGREES          
REMARK 500  2 ARG A  45   NE  -  CZ  -  NH1 ANGL. DEV. =   3.4 DEGREES          
REMARK 500  2 VAL A  54   CA  -  CB  -  CG1 ANGL. DEV. =   9.3 DEGREES          
REMARK 500  2 ARG A  61   NE  -  CZ  -  NH1 ANGL. DEV. =   3.5 DEGREES          
REMARK 500  2 ARG A  66   NE  -  CZ  -  NH1 ANGL. DEV. =   7.0 DEGREES          
REMARK 500  2 ARG A  75   CD  -  NE  -  CZ  ANGL. DEV. =  11.0 DEGREES          
REMARK 500  2 PHE A  76   CB  -  CG  -  CD1 ANGL. DEV. =  -5.2 DEGREES          
REMARK 500  2 HIS A  82   CE1 -  NE2 -  CD2 ANGL. DEV. =   5.0 DEGREES          
REMARK 500  2 ASP A  84   CB  -  CG  -  OD1 ANGL. DEV. =   7.2 DEGREES          
REMARK 500  2 PRO A  88   C   -  N   -  CA  ANGL. DEV. =  11.8 DEGREES          
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS     568 ANGLE DEVIATIONS.                             
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 ILE A  30      -39.17   -143.96                                   
REMARK 500  1 ILE A  60     -168.15   -118.73                                   
REMARK 500  1 LEU A  68      -20.74   -143.24                                   
REMARK 500  1 ASN A  69       40.78     39.63                                   
REMARK 500  1 PRO A  88       -9.50    -48.85                                   
REMARK 500  1 ASN A  95      -20.37   -142.84                                   
REMARK 500  1 ASN A 113      159.81    -48.40                                   
REMARK 500  1 SER A 119       58.17     38.95                                   
REMARK 500  1 VAL A 127       -7.28   -162.93                                   
REMARK 500  2 PRO A   2      158.09    -43.95                                   
REMARK 500  2 HIS A  15      -13.50   -142.64                                   
REMARK 500  2 PRO A  20      162.78    -45.63                                   
REMARK 500  2 ILE A  30      -32.70   -138.44                                   
REMARK 500  2 TYR A  33      -37.17   -135.45                                   
REMARK 500  2 GLN A  91       -4.82   -140.54                                   
REMARK 500  2 ARG A 101       88.69   -159.24                                   
REMARK 500  2 ARG A 117       29.46   -142.10                                   
REMARK 500  2 PRO A 120      -33.88    -37.36                                   
REMARK 500  2 ASP A 130      -50.14   -121.84                                   
REMARK 500  3 PRO A   2      159.15    -46.92                                   
REMARK 500  3 ASN A  19       73.95   -150.73                                   
REMARK 500  3 ILE A  30      -39.97   -137.89                                   
REMARK 500  3 ARG A  45       51.13    -91.75                                   
REMARK 500  3 GLN A  58     -179.57    -63.72                                   
REMARK 500  3 HIS A  64       35.46   -146.50                                   
REMARK 500  3 THR A  67        4.67    -62.47                                   
REMARK 500  3 LEU A  68      -14.40   -147.79                                   
REMARK 500  3 LEU A  85       80.77    -66.71                                   
REMARK 500  3 ASN A  95      -17.35   -145.23                                   
REMARK 500  3 ASN A 113      154.36    -42.03                                   
REMARK 500  3 PRO A 116        0.54    -59.76                                   
REMARK 500  3 ARG A 117       -3.64   -148.59                                   
REMARK 500  3 PRO A 120       -5.28    -56.60                                   
REMARK 500  4 PRO A   3      -16.02    -36.93                                   
REMARK 500  4 GLN A   4      -10.77   -146.72                                   
REMARK 500  4 HIS A  15      -14.21   -144.06                                   
REMARK 500  4 PRO A  21      168.18    -48.89                                   
REMARK 500  4 ALA A  29       -8.18    -57.91                                   
REMARK 500  4 ILE A  30      -38.57   -142.36                                   
REMARK 500  4 ARG A  45       61.81   -101.93                                   
REMARK 500  4 ASN A  57      162.85    -48.97                                   
REMARK 500  4 ASN A  69       46.52     31.59                                   
REMARK 500  4 PRO A  88       19.98    -47.67                                   
REMARK 500  4 GLN A  91       -4.22   -141.96                                   
REMARK 500  4 ARG A 114      152.58    -42.09                                   
REMARK 500  4 VAL A 127      -11.33   -141.70                                   
REMARK 500  5 GLN A   4       24.18   -145.96                                   
REMARK 500  5 HIS A  15       -9.00   -153.84                                   
REMARK 500  5 ASN A  19       50.83   -143.36                                   
REMARK 500  5 CYS A  55        5.16    -63.32                                   
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS     204 RAMACHANDRAN OUTLIERS.                        
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS                                         
REMARK 500                                                                      
REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH          
REMARK 500 CIS AND TRANS CONFORMATION.  CIS BONDS, IF ANY, ARE LISTED           
REMARK 500 ON CISPEP RECORDS.  TRANS IS DEFINED AS 180 +/- 30 AND               
REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES.                                  
REMARK 500                                 MODEL     OMEGA                      
REMARK 500 ARG A    1     PRO A    2          2       148.19                    
REMARK 500 LEU A   18     ASN A   19          4       146.02                    
REMARK 500 HIS A   64     ASN A   65          4      -142.26                    
REMARK 500 PHE A    5     THR A    6          5       145.33                    
REMARK 500 ALA A   99     ASP A  100          5      -149.97                    
REMARK 500 PHE A    5     THR A    6          8       148.03                    
REMARK 500 PHE A    5     THR A    6          9       148.89                    
REMARK 500 GLN A   14     HIS A   15         10      -145.38                    
REMARK 500 PRO A    2     PRO A    3         11      -144.93                    
REMARK 500 VAL A   78     PRO A   79         11       149.24                    
REMARK 500 ARG A  114     ASP A  115         11       148.67                    
REMARK 500 THR A    6     ARG A    7         12       148.58                    
REMARK 500 PHE A    5     THR A    6         13       146.48                    
REMARK 500 HIS A   64     ASN A   65         13      -145.90                    
REMARK 500 LEU A  129     ASP A  130         13       144.63                    
REMARK 500 CYS A   83     ASP A   84         17      -145.28                    
REMARK 500 PRO A   21     ARG A   22         19       146.69                    
REMARK 500 CYS A   83     ASP A   84         19      -143.11                    
REMARK 500 ARG A  114     ASP A  115         19       149.21                    
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 PHE A  11         0.07    SIDE CHAIN                              
REMARK 500  1 ARG A  34         0.10    SIDE CHAIN                              
REMARK 500  1 ARG A  66         0.10    SIDE CHAIN                              
REMARK 500  1 ARG A  75         0.11    SIDE CHAIN                              
REMARK 500  1 HIS A  82         0.07    SIDE CHAIN                              
REMARK 500  1 PHE A 106         0.10    SIDE CHAIN                              
REMARK 500  1 ARG A 114         0.09    SIDE CHAIN                              
REMARK 500  2 PHE A  11         0.09    SIDE CHAIN                              
REMARK 500  2 ARG A  22         0.14    SIDE CHAIN                              
REMARK 500  2 ARG A  28         0.12    SIDE CHAIN                              
REMARK 500  2 ARG A  66         0.08    SIDE CHAIN                              
REMARK 500  2 TYR A  98         0.08    SIDE CHAIN                              
REMARK 500  2 TYR A 107         0.07    SIDE CHAIN                              
REMARK 500  3 PHE A   5         0.09    SIDE CHAIN                              
REMARK 500  3 TYR A  33         0.10    SIDE CHAIN                              
REMARK 500  3 ARG A  45         0.09    SIDE CHAIN                              
REMARK 500  3 TYR A 107         0.11    SIDE CHAIN                              
REMARK 500  3 ARG A 121         0.09    SIDE CHAIN                              
REMARK 500  4 PHE A   5         0.11    SIDE CHAIN                              
REMARK 500  4 TYR A  98         0.11    SIDE CHAIN                              
REMARK 500  4 ARG A 117         0.11    SIDE CHAIN                              
REMARK 500  4 ARG A 121         0.10    SIDE CHAIN                              
REMARK 500  5 ARG A 104         0.08    SIDE CHAIN                              
REMARK 500  5 TYR A 107         0.11    SIDE CHAIN                              
REMARK 500  5 TYR A 122         0.07    SIDE CHAIN                              
REMARK 500  6 ARG A   1         0.08    SIDE CHAIN                              
REMARK 500  6 ARG A 105         0.14    SIDE CHAIN                              
REMARK 500  6 TYR A 107         0.08    SIDE CHAIN                              
REMARK 500  7 PHE A   5         0.08    SIDE CHAIN                              
REMARK 500  7 TYR A  33         0.09    SIDE CHAIN                              
REMARK 500  7 ARG A  66         0.11    SIDE CHAIN                              
REMARK 500  7 ARG A  75         0.11    SIDE CHAIN                              
REMARK 500  7 PHE A  76         0.08    SIDE CHAIN                              
REMARK 500  7 ARG A 104         0.08    SIDE CHAIN                              
REMARK 500  7 PHE A 106         0.08    SIDE CHAIN                              
REMARK 500  8 ARG A  34         0.07    SIDE CHAIN                              
REMARK 500  8 ARG A  36         0.08    SIDE CHAIN                              
REMARK 500  8 ARG A  73         0.10    SIDE CHAIN                              
REMARK 500  8 ARG A 105         0.10    SIDE CHAIN                              
REMARK 500  8 TYR A 107         0.07    SIDE CHAIN                              
REMARK 500  8 TYR A 122         0.09    SIDE CHAIN                              
REMARK 500  9 ARG A  66         0.08    SIDE CHAIN                              
REMARK 500  9 ASN A  70         0.07    SIDE CHAIN                              
REMARK 500  9 ARG A 105         0.08    SIDE CHAIN                              
REMARK 500  9 ARG A 114         0.11    SIDE CHAIN                              
REMARK 500 10 ARG A  22         0.09    SIDE CHAIN                              
REMARK 500 10 TYR A  33         0.09    SIDE CHAIN                              
REMARK 500 10 ARG A  77         0.10    SIDE CHAIN                              
REMARK 500 10 ARG A 101         0.14    SIDE CHAIN                              
REMARK 500 10 TYR A 107         0.16    SIDE CHAIN                              
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS      90 PLANE DEVIATIONS.                             
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 ANGLE, 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  29        -10.26                                           
REMARK 500  3 ARG A  34        -10.40                                           
REMARK 500  7 PHE A  43         10.41                                           
REMARK 500  7 GLN A  91        -10.59                                           
REMARK 500  8 ARG A  36        -10.28                                           
REMARK 500  9 GLN A  14         12.55                                           
REMARK 500 10 ILE A  13        -10.16                                           
REMARK 500 10 TYR A 122        -10.00                                           
REMARK 500 14 LEU A  18        -10.87                                           
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 18596   RELATED DB: BMRB                                 
DBREF  2LVZ A    1   133  UNP    P12724   ECP_HUMAN       28    160             
SEQADV 2LVZ ARG A   97  UNP  P12724    THR   124 CONFLICT                       
SEQRES   1 A  133  ARG PRO PRO GLN PHE THR ARG ALA GLN TRP PHE ALA ILE          
SEQRES   2 A  133  GLN HIS ILE SER LEU ASN PRO PRO ARG CYS THR ILE ALA          
SEQRES   3 A  133  MET ARG ALA ILE ASN ASN TYR ARG TRP ARG CYS LYS ASN          
SEQRES   4 A  133  GLN ASN THR PHE LEU ARG THR THR PHE ALA ASN VAL VAL          
SEQRES   5 A  133  ASN VAL CYS GLY ASN GLN SER ILE ARG CYS PRO HIS ASN          
SEQRES   6 A  133  ARG THR LEU ASN ASN CYS HIS ARG SER ARG PHE ARG VAL          
SEQRES   7 A  133  PRO LEU LEU HIS CYS ASP LEU ILE ASN PRO GLY ALA GLN          
SEQRES   8 A  133  ASN ILE SER ASN CYS ARG TYR ALA ASP ARG PRO GLY ARG          
SEQRES   9 A  133  ARG PHE TYR VAL VAL ALA CYS ASP ASN ARG ASP PRO ARG          
SEQRES  10 A  133  ASP SER PRO ARG TYR PRO VAL VAL PRO VAL HIS LEU ASP          
SEQRES  11 A  133  THR THR ILE                                                  
HET    LVZ  B   1      39                                                       
HET    IDS  B   2      22                                                       
HET    SGN  B   3      29                                                       
HETNAM     LVZ PROPAN-2-YL 2-DEOXY-6-O-SULFO-2-(SULFOAMINO)-ALPHA-D-            
HETNAM   2 LVZ  GLUCOPYRANOSIDE                                                 
HETNAM     IDS 2-O-SULFO-ALPHA-L-IDOPYRANURONIC ACID                            
HETNAM     SGN 2-DEOXY-6-O-SULFO-2-(SULFOAMINO)-ALPHA-D-GLUCOPYRANOSE           
HETSYN     IDS O2-SULFO-GLUCURONIC ACID                                         
FORMUL   2  LVZ    C9 H19 N O11 S2                                              
FORMUL   2  IDS    C6 H10 O10 S                                                 
FORMUL   2  SGN    C6 H13 N O11 S2                                              
HELIX    1   1 THR A    6  ILE A   16  1                                  11    
HELIX    2   2 ARG A   22  MET A   27  1                                   6    
HELIX    3   3 ARG A   28  ILE A   30  5                                   3    
HELIX    4   4 THR A   47  CYS A   55  1                                   9    
SHEET    1   A 3 GLN A  40  LEU A  44  0                                        
SHEET    2   A 3 VAL A  78  LEU A  85 -1  O  LEU A  81   N  PHE A  43           
SHEET    3   A 3 TYR A  98  ARG A 105 -1  O  GLY A 103   N  LEU A  80           
SHEET    1   B 3 HIS A  72  ARG A  73  0                                        
SHEET    2   B 3 TYR A 107  ASN A 113 -1  O  VAL A 109   N  HIS A  72           
SHEET    3   B 3 VAL A 124  THR A 132 -1  O  VAL A 125   N  ASP A 112           
SSBOND   1 CYS A   23    CYS A   83                          1555   1555  2.09  
SSBOND   2 CYS A   37    CYS A   96                          1555   1555  2.08  
SSBOND   3 CYS A   55    CYS A  111                          1555   1555  1.99  
SSBOND   4 CYS A   62    CYS A   71                          1555   1555  2.06  
LINK         O4  LVZ B   1                 C1  IDS B   2     1555   1555  1.52  
LINK         O4  IDS B   2                 C1  SGN B   3     1555   1555  1.47  
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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