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Database: PDB
Entry: 4XRM
LinkDB: 4XRM
Original site: 4XRM 
HEADER    TRANSCRIPTION                           21-JAN-15   4XRM              
TITLE     HOMODIMER OF TALE TYPE HOMEOBOX TRANSCRIPTION FACTOR MEIS1 COMPLEXES  
TITLE    2 WITH SPECIFIC DNA                                                    
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: DNA (5'-                                                   
COMPND   3 D(P*AP*GP*CP*TP*GP*AP*CP*AP*GP*CP*TP*GP*TP*CP*AP*AP*G)-3');          
COMPND   4 CHAIN: M;                                                            
COMPND   5 ENGINEERED: YES;                                                     
COMPND   6 MOL_ID: 2;                                                           
COMPND   7 MOLECULE: DNA (5'-                                                   
COMPND   8 D(P*TP*CP*TP*TP*GP*AP*CP*AP*GP*CP*TP*GP*TP*CP*AP*GP*C)-3');          
COMPND   9 CHAIN: L;                                                            
COMPND  10 ENGINEERED: YES;                                                     
COMPND  11 MOL_ID: 3;                                                           
COMPND  12 MOLECULE: HOMEOBOX PROTEIN MEIS2;                                    
COMPND  13 CHAIN: A, B;                                                         
COMPND  14 SYNONYM: MEIS1-RELATED PROTEIN 1;                                    
COMPND  15 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 SYNTHETIC: YES;                                                      
SOURCE   3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;                            
SOURCE   4 ORGANISM_TAXID: 32630;                                               
SOURCE   5 MOL_ID: 2;                                                           
SOURCE   6 SYNTHETIC: YES;                                                      
SOURCE   7 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;                            
SOURCE   8 ORGANISM_TAXID: 32630;                                               
SOURCE   9 MOL_ID: 3;                                                           
SOURCE  10 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  11 ORGANISM_COMMON: HUMAN;                                              
SOURCE  12 ORGANISM_TAXID: 9606;                                                
SOURCE  13 GENE: MEIS2, MRG1;                                                   
SOURCE  14 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE  15 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE  16 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
SOURCE  17 EXPRESSION_SYSTEM_VARIANT: ROSETTA2 PLYSS;                           
SOURCE  18 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  19 EXPRESSION_SYSTEM_PLASMID: PETG20A                                   
KEYWDS    TALE HOMEOBOX, MEIS, COMPLEX, DNA, TRANSCRIPTION                      
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    E.MORGUNOVA,A.JORMA,Y.YIN,K.R.NITTA,K.DAVE,M.ENGE,T.KIVIOJA,A.POPOV,  
AUTHOR   2 J.TAIPALE                                                            
REVDAT   3   02-DEC-15 4XRM    1       JRNL                                     
REVDAT   2   18-NOV-15 4XRM    1       JRNL                                     
REVDAT   1   04-NOV-15 4XRM    0                                                
JRNL        AUTH   A.JOLMA,Y.YIN,K.R.NITTA,K.DAVE,A.POPOV,M.TAIPALE,M.ENGE,     
JRNL        AUTH 2 T.KIVIOJA,E.MORGUNOVA,J.TAIPALE                              
JRNL        TITL   DNA-DEPENDENT FORMATION OF TRANSCRIPTION FACTOR PAIRS ALTERS 
JRNL        TITL 2 THEIR BINDING SPECIFICITY.                                   
JRNL        REF    NATURE                        V. 527   384 2015              
JRNL        REFN                   ESSN 1476-4687                               
JRNL        PMID   26550823                                                     
JRNL        DOI    10.1038/NATURE15518                                          
REMARK   2                                                                      
REMARK   2 RESOLUTION.    1.60 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX                                               
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN            
REMARK   3               : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE,           
REMARK   3               : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER,            
REMARK   3               : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY,              
REMARK   3               : REETAL PAI,RANDY READ,JANE RICHARDSON,               
REMARK   3               : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI,           
REMARK   3               : NICHOLAS SAUTER,JACOB SMITH,LAURENT                  
REMARK   3               : STORONI,TOM TERWILLIGER,PETER ZWART                  
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : ML                                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.60                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 19.83                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.350                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 97.2                           
REMARK   3   NUMBER OF REFLECTIONS             : 35951                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.177                           
REMARK   3   R VALUE            (WORKING SET) : 0.177                           
REMARK   3   FREE R VALUE                     : 0.211                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 2.000                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 720                             
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT (IN BINS).                           
REMARK   3   BIN  RESOLUTION RANGE  COMPL.    NWORK NFREE   RWORK  RFREE        
REMARK   3     1  2.7341 -  2.1710    0.97     7053   144  0.1856 0.2104        
REMARK   3     2  2.1710 -  1.8968    0.99     7094   145  0.1936 0.2292        
REMARK   3     3  1.8968 -  1.7235    0.98     7060   144  0.2347 0.2573        
REMARK   3     4  1.7235 -  1.6000    0.96     6906   142  0.2791 0.2999        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : FLAT BULK SOLVENT MODEL                       
REMARK   3   SOLVENT RADIUS     : 1.11                                          
REMARK   3   SHRINKAGE RADIUS   : 0.90                                          
REMARK   3   K_SOL              : NULL                                          
REMARK   3   B_SOL              : NULL                                          
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.170            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 25.740           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 25.92                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 42.14                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : NULL                                                 
REMARK   3    B22 (A**2) : NULL                                                 
REMARK   3    B33 (A**2) : NULL                                                 
REMARK   3    B12 (A**2) : NULL                                                 
REMARK   3    B13 (A**2) : NULL                                                 
REMARK   3    B23 (A**2) : NULL                                                 
REMARK   3                                                                      
REMARK   3  TWINNING INFORMATION.                                               
REMARK   3   FRACTION: NULL                                                     
REMARK   3   OPERATOR: NULL                                                     
REMARK   3                                                                      
REMARK   3  DEVIATIONS FROM IDEAL VALUES.                                       
REMARK   3                 RMSD          COUNT                                  
REMARK   3   BOND      :  0.005           1835                                  
REMARK   3   ANGLE     :  0.790           2629                                  
REMARK   3   CHIRALITY :  0.033            292                                  
REMARK   3   PLANARITY :  0.004            214                                  
REMARK   3   DIHEDRAL  : 24.917            730                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 4                                          
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: CHAIN 'L' AND (RESID 21 THROUGH 37)                    
REMARK   3    ORIGIN FOR THE GROUP (A):  12.0447  15.8921  18.3811              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2755 T22:   0.2689                                     
REMARK   3      T33:   0.2726 T12:   0.0234                                     
REMARK   3      T13:  -0.0332 T23:   0.0135                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.6371 L22:   0.8198                                     
REMARK   3      L33:   2.1531 L12:   0.4335                                     
REMARK   3      L13:   0.0371 L23:  -0.4582                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0582 S12:  -0.0293 S13:  -0.0352                       
REMARK   3      S21:   0.0817 S22:  -0.0620 S23:  -0.0129                       
REMARK   3      S31:   0.1322 S32:  -0.0383 S33:   0.0000                       
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 1 THROUGH 64 )                    
REMARK   3    ORIGIN FOR THE GROUP (A):  16.0876  26.1891 -12.2430              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2481 T22:   0.2491                                     
REMARK   3      T33:   0.2706 T12:  -0.0078                                     
REMARK   3      T13:   0.0156 T23:  -0.0410                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.3316 L22:   2.0915                                     
REMARK   3      L33:   3.2115 L12:   0.8128                                     
REMARK   3      L13:   0.0347 L23:  -0.5331                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0144 S12:   0.0229 S13:  -0.0431                       
REMARK   3      S21:  -0.0842 S22:   0.0344 S23:  -0.0880                       
REMARK   3      S31:  -0.0320 S32:   0.0379 S33:  -0.0007                       
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    SELECTION: CHAIN 'M' AND (RESID 1 THROUGH 17 )                    
REMARK   3    ORIGIN FOR THE GROUP (A):  18.2326  19.5480   0.9382              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2505 T22:   0.2406                                     
REMARK   3      T33:   0.2897 T12:   0.0291                                     
REMARK   3      T13:   0.0387 T23:  -0.0130                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.0845 L22:   1.0412                                     
REMARK   3      L33:   1.6852 L12:  -0.1605                                     
REMARK   3      L13:  -0.4153 L23:  -1.2720                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1909 S12:   0.0224 S13:  -0.1118                       
REMARK   3      S21:   0.0391 S22:   0.0047 S23:  -0.1753                       
REMARK   3      S31:   0.1888 S32:   0.0058 S33:   0.0026                       
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    SELECTION: CHAIN 'L' AND (RESID 21 THROUGH 37)                    
REMARK   3    ORIGIN FOR THE GROUP (A):  18.3976  20.0288   5.1534              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2327 T22:   0.2758                                     
REMARK   3      T33:   0.2797 T12:   0.0147                                     
REMARK   3      T13:  -0.0382 T23:  -0.0004                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.4897 L22:   1.1856                                     
REMARK   3      L33:   1.6260 L12:  -0.2283                                     
REMARK   3      L13:  -0.7105 L23:  -1.1177                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0686 S12:  -0.1702 S13:  -0.0393                       
REMARK   3      S21:  -0.1313 S22:   0.0802 S23:  -0.1666                       
REMARK   3      S31:  -0.1058 S32:   0.2190 S33:   0.0019                       
REMARK   3                                                                      
REMARK   3  NCS DETAILS                                                         
REMARK   3   NUMBER OF NCS GROUPS : NULL                                        
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 4XRM COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 21-JAN-15.                  
REMARK 100 THE DEPOSITION ID IS D_1000206203.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 22-JAN-14                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 8                                  
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : ESRF                               
REMARK 200  BEAMLINE                       : ID23-1                             
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.9724                             
REMARK 200  MONOCHROMATOR                  : MIRROR                             
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 315R                  
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : XDS                                
REMARK 200  DATA SCALING SOFTWARE          : XSCALE                             
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 36011                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.600                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 20.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 97.3                               
REMARK 200  DATA REDUNDANCY                : 4.100                              
REMARK 200  R MERGE                    (I) : 0.04100                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 14.8400                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.60                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 1.66                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 93.9                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 3.70                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.71280                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 1.560                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: PHASER                                                
REMARK 200 STARTING MODEL: 3K2A                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 55.08                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.74                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: PME 5000, TRIS, PEG 400, MAGNESIUM       
REMARK 280  CHLORIDE, PH 8, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293K     
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: I 2 2 2                          
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,-Y,Z                                                 
REMARK 290       3555   -X,Y,-Z                                                 
REMARK 290       4555   X,-Y,-Z                                                 
REMARK 290       5555   X+1/2,Y+1/2,Z+1/2                                       
REMARK 290       6555   -X+1/2,-Y+1/2,Z+1/2                                     
REMARK 290       7555   -X+1/2,Y+1/2,-Z+1/2                                     
REMARK 290       8555   X+1/2,-Y+1/2,-Z+1/2                                     
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   5  1.000000  0.000000  0.000000       35.31000            
REMARK 290   SMTRY2   5  0.000000  1.000000  0.000000       39.64000            
REMARK 290   SMTRY3   5  0.000000  0.000000  1.000000       49.48500            
REMARK 290   SMTRY1   6 -1.000000  0.000000  0.000000       35.31000            
REMARK 290   SMTRY2   6  0.000000 -1.000000  0.000000       39.64000            
REMARK 290   SMTRY3   6  0.000000  0.000000  1.000000       49.48500            
REMARK 290   SMTRY1   7 -1.000000  0.000000  0.000000       35.31000            
REMARK 290   SMTRY2   7  0.000000  1.000000  0.000000       39.64000            
REMARK 290   SMTRY3   7  0.000000  0.000000 -1.000000       49.48500            
REMARK 290   SMTRY1   8  1.000000  0.000000  0.000000       35.31000            
REMARK 290   SMTRY2   8  0.000000 -1.000000  0.000000       39.64000            
REMARK 290   SMTRY3   8  0.000000  0.000000 -1.000000       49.48500            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
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: TETRAMERIC                        
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC                 
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 4940 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 12380 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -15.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: M, L, 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 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
REMARK 465                                                                      
REMARK 465   M RES C SSSEQI                                                     
REMARK 465     SER A   275                                                      
REMARK 465     MET A   276                                                      
REMARK 465     GLY A   277                                                      
REMARK 465     GLN A   337                                                      
REMARK 465     SER A   338                                                      
REMARK 470                                                                      
REMARK 470 MISSING ATOM                                                         
REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER;           
REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;          
REMARK 470 I=INSERTION CODE):                                                   
REMARK 470   M RES CSSEQI  ATOMS                                                
REMARK 470     ASP A 336    CG   OD1  OD2                                       
REMARK 470     SER B 275    OG                                                  
REMARK 470     MET B 276    CG   SD   CE                                        
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT                     
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  HH22  ARG B   327     O    HOH B   401              1.50            
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     DC M   7   O4' -  C1' -  N1  ANGL. DEV. =   2.0 DEGREES          
REMARK 500     DC L  27   O4' -  C1' -  N1  ANGL. DEV. =   2.1 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    HIS B 297       77.80   -154.75                                   
REMARK 500    PRO B 298       48.91    -79.08                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 525                                                                      
REMARK 525 SOLVENT                                                              
REMARK 525                                                                      
REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT                    
REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST                  
REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT                 
REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE                       
REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER;                             
REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE                  
REMARK 525 NUMBER; I=INSERTION CODE):                                           
REMARK 525                                                                      
REMARK 525  M RES CSSEQI                                                        
REMARK 525    HOH A 482        DISTANCE =  7.57 ANGSTROMS                       
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue TRS M 101                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue TRS L 101                 
DBREF  4XRM M    1    17  PDB    4XRM     4XRM             1     17             
DBREF  4XRM L   21    37  PDB    4XRM     4XRM            21     37             
DBREF  4XRM A  277   338  UNP    O14770   MEIS2_HUMAN    281    342             
DBREF  4XRM B  277   338  UNP    O14770   MEIS2_HUMAN    281    342             
SEQADV 4XRM SER A  275  UNP  O14770              EXPRESSION TAG                 
SEQADV 4XRM MET A  276  UNP  O14770              EXPRESSION TAG                 
SEQADV 4XRM SER B  275  UNP  O14770              EXPRESSION TAG                 
SEQADV 4XRM MET B  276  UNP  O14770              EXPRESSION TAG                 
SEQRES   1 M   17   DA  DG  DC  DT  DG  DA  DC  DA  DG  DC  DT  DG  DT          
SEQRES   2 M   17   DC  DA  DA  DG                                              
SEQRES   1 L   17   DT  DC  DT  DT  DG  DA  DC  DA  DG  DC  DT  DG  DT          
SEQRES   2 L   17   DC  DA  DG  DC                                              
SEQRES   1 A   64  SER MET GLY ILE PHE PRO LYS VAL ALA THR ASN ILE MET          
SEQRES   2 A   64  ARG ALA TRP LEU PHE GLN HIS LEU THR HIS PRO TYR PRO          
SEQRES   3 A   64  SER GLU GLU GLN LYS LYS GLN LEU ALA GLN ASP THR GLY          
SEQRES   4 A   64  LEU THR ILE LEU GLN VAL ASN ASN TRP PHE ILE ASN ALA          
SEQRES   5 A   64  ARG ARG ARG ILE VAL GLN PRO MET ILE ASP GLN SER              
SEQRES   1 B   64  SER MET GLY ILE PHE PRO LYS VAL ALA THR ASN ILE MET          
SEQRES   2 B   64  ARG ALA TRP LEU PHE GLN HIS LEU THR HIS PRO TYR PRO          
SEQRES   3 B   64  SER GLU GLU GLN LYS LYS GLN LEU ALA GLN ASP THR GLY          
SEQRES   4 B   64  LEU THR ILE LEU GLN VAL ASN ASN TRP PHE ILE ASN ALA          
SEQRES   5 B   64  ARG ARG ARG ILE VAL GLN PRO MET ILE ASP GLN SER              
HET    TRS  M 101      20                                                       
HET    TRS  L 101      20                                                       
HETNAM     TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL                         
HETSYN     TRS TRIS BUFFER                                                      
FORMUL   5  TRS    2(C4 H12 N O3 1+)                                            
FORMUL   7  HOH   *309(H2 O)                                                    
HELIX    1 AA1 VAL A  282  GLN A  293  1                                  12    
HELIX    2 AA2 SER A  301  GLY A  313  1                                  13    
HELIX    3 AA3 THR A  315  ILE A  330  1                                  16    
HELIX    4 AA4 ILE A  330  ASP A  336  1                                   7    
HELIX    5 AA5 VAL B  282  GLN B  293  1                                  12    
HELIX    6 AA6 SER B  301  GLY B  313  1                                  13    
HELIX    7 AA7 THR B  315  ILE B  330  1                                  16    
HELIX    8 AA8 ILE B  330  SER B  338  1                                   9    
SITE     1 AC1 10 ASN A 320  ILE A 324  HOH A 409  HOH L 230                    
SITE     2 AC1 10  DG M   9   DC M  10  HOH M 204  HOH M 214                    
SITE     3 AC1 10 HOH M 217  HOH M 224                                          
SITE     1 AC2 10 ASN B 320  ILE B 324  HOH B 410   DG L  29                    
SITE     2 AC2 10  DC L  30  HOH L 209  HOH L 212  HOH L 217                    
SITE     3 AC2 10 HOH L 225  HOH L 230                                          
CRYST1   70.620   79.280   98.970  90.00  90.00  90.00 I 2 2 2      16          
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      0.014160  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.012614  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.010104        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
DBGET integrated database retrieval system