HEADER TUMOUR SUPPRESSOR 03-OCT-97 1YGS
TITLE CRYSTAL STRUCTURE OF THE SMAD4 TUMOR SUPPRESSOR C-TERMINAL DOMAIN
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: SMAD4;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: C-TERMINAL DOMAIN, RESIDUES 319 - 552;
COMPND 5 SYNONYM: DPC4, HMAD4, MADR4;
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 CELL_LINE: BL21 (DE3);
SOURCE 6 CELLULAR_LOCATION: CYTOPLASM (CAN BE TRANSLOCATED INTO NUCLEUS);
SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 8 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE 9 EXPRESSION_SYSTEM_CELL_LINE: BL21 (DE3);
SOURCE 10 EXPRESSION_SYSTEM_VECTOR: PET3A;
SOURCE 11 EXPRESSION_SYSTEM_PLASMID: BL21
KEYWDS SMAD4, TUMOR SUPPRESSOR C-TERMINAL DOMAIN, TGF-BETA SIGNAL MEDIATOR,
KEYWDS 2 BETA-SANDWICH SCAFFOLD WITH A THREE-HELIX BUNDLE, TUMOUR SUPPRESSOR
EXPDTA X-RAY DIFFRACTION
AUTHOR Y.SHI,A.HATA,R.S.LO,J.MASSAGUE,N.P.PAVLETICH
REVDAT 3 14-FEB-24 1YGS 1 REMARK
REVDAT 2 24-FEB-09 1YGS 1 VERSN
REVDAT 1 08-JUL-98 1YGS 0
JRNL AUTH Y.SHI,A.HATA,R.S.LO,J.MASSAGUE,N.P.PAVLETICH
JRNL TITL A STRUCTURAL BASIS FOR MUTATIONAL INACTIVATION OF THE TUMOUR
JRNL TITL 2 SUPPRESSOR SMAD4.
JRNL REF NATURE V. 388 87 1997
JRNL REFN ISSN 0028-0836
JRNL PMID 9214508
JRNL DOI 10.1038/40431
REMARK 2
REMARK 2 RESOLUTION. 2.10 ANGSTROMS.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR
REMARK 3 AUTHORS : BRUNGER
REMARK 3
REMARK 3 DATA USED IN REFINEMENT.
REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.10
REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 6.00
REMARK 3 DATA CUTOFF (SIGMA(F)) : 4.000
REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL
REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL
REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 86.2
REMARK 3 NUMBER OF REFLECTIONS : 16157
REMARK 3
REMARK 3 FIT TO DATA USED IN REFINEMENT.
REMARK 3 CROSS-VALIDATION METHOD : R FACTOR
REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM
REMARK 3 R VALUE (WORKING SET) : 0.219
REMARK 3 FREE R VALUE : 0.279
REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000
REMARK 3 FREE R VALUE TEST SET COUNT : 742
REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL
REMARK 3
REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN.
REMARK 3 TOTAL NUMBER OF BINS USED : 8
REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.10
REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.19
REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 82.00
REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 1677
REMARK 3 BIN R VALUE (WORKING SET) : 0.3160
REMARK 3 BIN FREE R VALUE : 0.3220
REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 5.00
REMARK 3 BIN FREE R VALUE TEST SET COUNT : 90
REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL
REMARK 3
REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.
REMARK 3 PROTEIN ATOMS : 1520
REMARK 3 NUCLEIC ACID ATOMS : 0
REMARK 3 HETEROGEN ATOMS : 0
REMARK 3 SOLVENT ATOMS : 138
REMARK 3
REMARK 3 B VALUES.
REMARK 3 FROM WILSON PLOT (A**2) : NULL
REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL
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 ESTIMATED COORDINATE ERROR.
REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL
REMARK 3 ESD FROM SIGMAA (A) : NULL
REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL
REMARK 3
REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR.
REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL
REMARK 3 ESD FROM C-V SIGMAA (A) : NULL
REMARK 3
REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES.
REMARK 3 BOND LENGTHS (A) : 0.008
REMARK 3 BOND ANGLES (DEGREES) : 1.538
REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL
REMARK 3 IMPROPER ANGLES (DEGREES) : NULL
REMARK 3
REMARK 3 ISOTROPIC THERMAL MODEL : NULL
REMARK 3
REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA
REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL
REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL
REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL
REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL
REMARK 3
REMARK 3 NCS MODEL : NULL
REMARK 3
REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT
REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL
REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL
REMARK 3
REMARK 3 PARAMETER FILE 1 : PARHCSDX.PRO
REMARK 3 PARAMETER FILE 2 : PARAM11.WAT
REMARK 3 PARAMETER FILE 3 : NULL
REMARK 3 TOPOLOGY FILE 1 : NULL
REMARK 3 TOPOLOGY FILE 2 : NULL
REMARK 3 TOPOLOGY FILE 3 : NULL
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1YGS COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.
REMARK 100 THE DEPOSITION ID IS D_1000177396.
REMARK 200
REMARK 200 EXPERIMENTAL DETAILS
REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION
REMARK 200 DATE OF DATA COLLECTION : 04-JUL-97
REMARK 200 TEMPERATURE (KELVIN) : 110
REMARK 200 PH : 6.5
REMARK 200 NUMBER OF CRYSTALS USED : 1
REMARK 200
REMARK 200 SYNCHROTRON (Y/N) : Y
REMARK 200 RADIATION SOURCE : CHESS
REMARK 200 BEAMLINE : A1
REMARK 200 X-RAY GENERATOR MODEL : NULL
REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M
REMARK 200 WAVELENGTH OR RANGE (A) : 0.908
REMARK 200 MONOCHROMATOR : NULL
REMARK 200 OPTICS : NULL
REMARK 200
REMARK 200 DETECTOR TYPE : CCD
REMARK 200 DETECTOR MANUFACTURER : NULL
REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO
REMARK 200 DATA SCALING SOFTWARE : SCALEPACK
REMARK 200
REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 18650
REMARK 200 RESOLUTION RANGE HIGH (A) : 2.100
REMARK 200 RESOLUTION RANGE LOW (A) : 99.000
REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 1.500
REMARK 200
REMARK 200 OVERALL.
REMARK 200 COMPLETENESS FOR RANGE (%) : 93.5
REMARK 200 DATA REDUNDANCY : 5.200
REMARK 200 R MERGE (I) : NULL
REMARK 200 R SYM (I) : 0.03900
REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 32.0000
REMARK 200
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.10
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.18
REMARK 200 COMPLETENESS FOR SHELL (%) : 93.1
REMARK 200 DATA REDUNDANCY IN SHELL : 4.20
REMARK 200 R MERGE FOR SHELL (I) : NULL
REMARK 200 R SYM FOR SHELL (I) : 0.16200
REMARK 200 <I/SIGMA(I)> FOR SHELL : 9.900
REMARK 200
REMARK 200 DIFFRACTION PROTOCOL: NULL
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MIR
REMARK 200 SOFTWARE USED: SQUASH, DM, X-PLOR
REMARK 200 STARTING MODEL: NULL
REMARK 200
REMARK 200 REMARK: NULL
REMARK 280
REMARK 280 CRYSTAL
REMARK 280 SOLVENT CONTENT, VS (%): 50.00
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.16
REMARK 280
REMARK 280 CRYSTALLIZATION CONDITIONS: 100 MM NAMES, PH6.5, 25% PEG
REMARK 280 MONOMETHYLETHER 5000, 5 MM DTT, 200 MM (NH4)2SO4
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: F 41 3 2
REMARK 290
REMARK 290 SYMOP SYMMETRY
REMARK 290 NNNMMM OPERATOR
REMARK 290 1555 X,Y,Z
REMARK 290 2555 -X,-Y+1/2,Z+1/2
REMARK 290 3555 -X+1/2,Y+1/2,-Z
REMARK 290 4555 X+1/2,-Y,-Z+1/2
REMARK 290 5555 Z,X,Y
REMARK 290 6555 Z+1/2,-X,-Y+1/2
REMARK 290 7555 -Z,-X+1/2,Y+1/2
REMARK 290 8555 -Z+1/2,X+1/2,-Y
REMARK 290 9555 Y,Z,X
REMARK 290 10555 -Y+1/2,Z+1/2,-X
REMARK 290 11555 Y+1/2,-Z,-X+1/2
REMARK 290 12555 -Y,-Z+1/2,X+1/2
REMARK 290 13555 Y+3/4,X+1/4,-Z+3/4
REMARK 290 14555 -Y+1/4,-X+1/4,-Z+1/4
REMARK 290 15555 Y+1/4,-X+3/4,Z+3/4
REMARK 290 16555 -Y+3/4,X+3/4,Z+1/4
REMARK 290 17555 X+3/4,Z+1/4,-Y+3/4
REMARK 290 18555 -X+3/4,Z+3/4,Y+1/4
REMARK 290 19555 -X+1/4,-Z+1/4,-Y+1/4
REMARK 290 20555 X+1/4,-Z+3/4,Y+3/4
REMARK 290 21555 Z+3/4,Y+1/4,-X+3/4
REMARK 290 22555 Z+1/4,-Y+3/4,X+3/4
REMARK 290 23555 -Z+3/4,Y+3/4,X+1/4
REMARK 290 24555 -Z+1/4,-Y+1/4,-X+1/4
REMARK 290 25555 X,Y+1/2,Z+1/2
REMARK 290 26555 -X,-Y,Z
REMARK 290 27555 -X+1/2,Y,-Z+1/2
REMARK 290 28555 X+1/2,-Y+1/2,-Z
REMARK 290 29555 Z,X+1/2,Y+1/2
REMARK 290 30555 Z+1/2,-X+1/2,-Y
REMARK 290 31555 -Z,-X,Y
REMARK 290 32555 -Z+1/2,X,-Y+1/2
REMARK 290 33555 Y,Z+1/2,X+1/2
REMARK 290 34555 -Y+1/2,Z,-X+1/2
REMARK 290 35555 Y+1/2,-Z+1/2,-X
REMARK 290 36555 -Y,-Z,X
REMARK 290 37555 Y+3/4,X+3/4,-Z+1/4
REMARK 290 38555 -Y+1/4,-X+3/4,-Z+3/4
REMARK 290 39555 Y+1/4,-X+1/4,Z+1/4
REMARK 290 40555 -Y+3/4,X+1/4,Z+3/4
REMARK 290 41555 X+3/4,Z+3/4,-Y+1/4
REMARK 290 42555 -X+3/4,Z+1/4,Y+3/4
REMARK 290 43555 -X+1/4,-Z+3/4,-Y+3/4
REMARK 290 44555 X+1/4,-Z+1/4,Y+1/4
REMARK 290 45555 Z+3/4,Y+3/4,-X+1/4
REMARK 290 46555 Z+1/4,-Y+1/4,X+1/4
REMARK 290 47555 -Z+3/4,Y+1/4,X+3/4
REMARK 290 48555 -Z+1/4,-Y+3/4,-X+3/4
REMARK 290 49555 X+1/2,Y,Z+1/2
REMARK 290 50555 -X+1/2,-Y+1/2,Z
REMARK 290 51555 -X,Y+1/2,-Z+1/2
REMARK 290 52555 X,-Y,-Z
REMARK 290 53555 Z+1/2,X,Y+1/2
REMARK 290 54555 Z,-X,-Y
REMARK 290 55555 -Z+1/2,-X+1/2,Y
REMARK 290 56555 -Z,X+1/2,-Y+1/2
REMARK 290 57555 Y+1/2,Z,X+1/2
REMARK 290 58555 -Y,Z+1/2,-X+1/2
REMARK 290 59555 Y,-Z,-X
REMARK 290 60555 -Y+1/2,-Z+1/2,X
REMARK 290 61555 Y+1/4,X+1/4,-Z+1/4
REMARK 290 62555 -Y+3/4,-X+1/4,-Z+3/4
REMARK 290 63555 Y+3/4,-X+3/4,Z+1/4
REMARK 290 64555 -Y+1/4,X+3/4,Z+3/4
REMARK 290 65555 X+1/4,Z+1/4,-Y+1/4
REMARK 290 66555 -X+1/4,Z+3/4,Y+3/4
REMARK 290 67555 -X+3/4,-Z+1/4,-Y+3/4
REMARK 290 68555 X+3/4,-Z+3/4,Y+1/4
REMARK 290 69555 Z+1/4,Y+1/4,-X+1/4
REMARK 290 70555 Z+3/4,-Y+3/4,X+1/4
REMARK 290 71555 -Z+1/4,Y+3/4,X+3/4
REMARK 290 72555 -Z+3/4,-Y+1/4,-X+3/4
REMARK 290 73555 X+1/2,Y+1/2,Z
REMARK 290 74555 -X+1/2,-Y,Z+1/2
REMARK 290 75555 -X,Y,-Z
REMARK 290 76555 X,-Y+1/2,-Z+1/2
REMARK 290 77555 Z+1/2,X+1/2,Y
REMARK 290 78555 Z,-X+1/2,-Y+1/2
REMARK 290 79555 -Z+1/2,-X,Y+1/2
REMARK 290 80555 -Z,X,-Y
REMARK 290 81555 Y+1/2,Z+1/2,X
REMARK 290 82555 -Y,Z,-X
REMARK 290 83555 Y,-Z+1/2,-X+1/2
REMARK 290 84555 -Y+1/2,-Z,X+1/2
REMARK 290 85555 Y+1/4,X+3/4,-Z+3/4
REMARK 290 86555 -Y+3/4,-X+3/4,-Z+1/4
REMARK 290 87555 Y+3/4,-X+1/4,Z+3/4
REMARK 290 88555 -Y+1/4,X+1/4,Z+1/4
REMARK 290 89555 X+1/4,Z+3/4,-Y+3/4
REMARK 290 90555 -X+1/4,Z+1/4,Y+1/4
REMARK 290 91555 -X+3/4,-Z+3/4,-Y+1/4
REMARK 290 92555 X+3/4,-Z+1/4,Y+3/4
REMARK 290 93555 Z+1/4,Y+3/4,-X+3/4
REMARK 290 94555 Z+3/4,-Y+1/4,X+3/4
REMARK 290 95555 -Z+1/4,Y+1/4,X+1/4
REMARK 290 96555 -Z+3/4,-Y+3/4,-X+1/4
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 98.92100
REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 98.92100
REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 98.92100
REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 98.92100
REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 98.92100
REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 98.92100
REMARK 290 SMTRY1 5 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY2 5 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY3 5 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY1 6 0.000000 0.000000 1.000000 98.92100
REMARK 290 SMTRY2 6 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY3 6 0.000000 -1.000000 0.000000 98.92100
REMARK 290 SMTRY1 7 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY2 7 -1.000000 0.000000 0.000000 98.92100
REMARK 290 SMTRY3 7 0.000000 1.000000 0.000000 98.92100
REMARK 290 SMTRY1 8 0.000000 0.000000 -1.000000 98.92100
REMARK 290 SMTRY2 8 1.000000 0.000000 0.000000 98.92100
REMARK 290 SMTRY3 8 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY1 9 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY2 9 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY3 9 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY1 10 0.000000 -1.000000 0.000000 98.92100
REMARK 290 SMTRY2 10 0.000000 0.000000 1.000000 98.92100
REMARK 290 SMTRY3 10 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY1 11 0.000000 1.000000 0.000000 98.92100
REMARK 290 SMTRY2 11 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY3 11 -1.000000 0.000000 0.000000 98.92100
REMARK 290 SMTRY1 12 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY2 12 0.000000 0.000000 -1.000000 98.92100
REMARK 290 SMTRY3 12 1.000000 0.000000 0.000000 98.92100
REMARK 290 SMTRY1 13 0.000000 1.000000 0.000000 148.38150
REMARK 290 SMTRY2 13 1.000000 0.000000 0.000000 49.46050
REMARK 290 SMTRY3 13 0.000000 0.000000 -1.000000 148.38150
REMARK 290 SMTRY1 14 0.000000 -1.000000 0.000000 49.46050
REMARK 290 SMTRY2 14 -1.000000 0.000000 0.000000 49.46050
REMARK 290 SMTRY3 14 0.000000 0.000000 -1.000000 49.46050
REMARK 290 SMTRY1 15 0.000000 1.000000 0.000000 49.46050
REMARK 290 SMTRY2 15 -1.000000 0.000000 0.000000 148.38150
REMARK 290 SMTRY3 15 0.000000 0.000000 1.000000 148.38150
REMARK 290 SMTRY1 16 0.000000 -1.000000 0.000000 148.38150
REMARK 290 SMTRY2 16 1.000000 0.000000 0.000000 148.38150
REMARK 290 SMTRY3 16 0.000000 0.000000 1.000000 49.46050
REMARK 290 SMTRY1 17 1.000000 0.000000 0.000000 148.38150
REMARK 290 SMTRY2 17 0.000000 0.000000 1.000000 49.46050
REMARK 290 SMTRY3 17 0.000000 -1.000000 0.000000 148.38150
REMARK 290 SMTRY1 18 -1.000000 0.000000 0.000000 148.38150
REMARK 290 SMTRY2 18 0.000000 0.000000 1.000000 148.38150
REMARK 290 SMTRY3 18 0.000000 1.000000 0.000000 49.46050
REMARK 290 SMTRY1 19 -1.000000 0.000000 0.000000 49.46050
REMARK 290 SMTRY2 19 0.000000 0.000000 -1.000000 49.46050
REMARK 290 SMTRY3 19 0.000000 -1.000000 0.000000 49.46050
REMARK 290 SMTRY1 20 1.000000 0.000000 0.000000 49.46050
REMARK 290 SMTRY2 20 0.000000 0.000000 -1.000000 148.38150
REMARK 290 SMTRY3 20 0.000000 1.000000 0.000000 148.38150
REMARK 290 SMTRY1 21 0.000000 0.000000 1.000000 148.38150
REMARK 290 SMTRY2 21 0.000000 1.000000 0.000000 49.46050
REMARK 290 SMTRY3 21 -1.000000 0.000000 0.000000 148.38150
REMARK 290 SMTRY1 22 0.000000 0.000000 1.000000 49.46050
REMARK 290 SMTRY2 22 0.000000 -1.000000 0.000000 148.38150
REMARK 290 SMTRY3 22 1.000000 0.000000 0.000000 148.38150
REMARK 290 SMTRY1 23 0.000000 0.000000 -1.000000 148.38150
REMARK 290 SMTRY2 23 0.000000 1.000000 0.000000 148.38150
REMARK 290 SMTRY3 23 1.000000 0.000000 0.000000 49.46050
REMARK 290 SMTRY1 24 0.000000 0.000000 -1.000000 49.46050
REMARK 290 SMTRY2 24 0.000000 -1.000000 0.000000 49.46050
REMARK 290 SMTRY3 24 -1.000000 0.000000 0.000000 49.46050
REMARK 290 SMTRY1 25 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 25 0.000000 1.000000 0.000000 98.92100
REMARK 290 SMTRY3 25 0.000000 0.000000 1.000000 98.92100
REMARK 290 SMTRY1 26 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 26 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY3 26 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 27 -1.000000 0.000000 0.000000 98.92100
REMARK 290 SMTRY2 27 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY3 27 0.000000 0.000000 -1.000000 98.92100
REMARK 290 SMTRY1 28 1.000000 0.000000 0.000000 98.92100
REMARK 290 SMTRY2 28 0.000000 -1.000000 0.000000 98.92100
REMARK 290 SMTRY3 28 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY1 29 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY2 29 1.000000 0.000000 0.000000 98.92100
REMARK 290 SMTRY3 29 0.000000 1.000000 0.000000 98.92100
REMARK 290 SMTRY1 30 0.000000 0.000000 1.000000 98.92100
REMARK 290 SMTRY2 30 -1.000000 0.000000 0.000000 98.92100
REMARK 290 SMTRY3 30 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY1 31 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY2 31 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY3 31 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY1 32 0.000000 0.000000 -1.000000 98.92100
REMARK 290 SMTRY2 32 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY3 32 0.000000 -1.000000 0.000000 98.92100
REMARK 290 SMTRY1 33 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY2 33 0.000000 0.000000 1.000000 98.92100
REMARK 290 SMTRY3 33 1.000000 0.000000 0.000000 98.92100
REMARK 290 SMTRY1 34 0.000000 -1.000000 0.000000 98.92100
REMARK 290 SMTRY2 34 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY3 34 -1.000000 0.000000 0.000000 98.92100
REMARK 290 SMTRY1 35 0.000000 1.000000 0.000000 98.92100
REMARK 290 SMTRY2 35 0.000000 0.000000 -1.000000 98.92100
REMARK 290 SMTRY3 35 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY1 36 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY2 36 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY3 36 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY1 37 0.000000 1.000000 0.000000 148.38150
REMARK 290 SMTRY2 37 1.000000 0.000000 0.000000 148.38150
REMARK 290 SMTRY3 37 0.000000 0.000000 -1.000000 49.46050
REMARK 290 SMTRY1 38 0.000000 -1.000000 0.000000 49.46050
REMARK 290 SMTRY2 38 -1.000000 0.000000 0.000000 148.38150
REMARK 290 SMTRY3 38 0.000000 0.000000 -1.000000 148.38150
REMARK 290 SMTRY1 39 0.000000 1.000000 0.000000 49.46050
REMARK 290 SMTRY2 39 -1.000000 0.000000 0.000000 49.46050
REMARK 290 SMTRY3 39 0.000000 0.000000 1.000000 49.46050
REMARK 290 SMTRY1 40 0.000000 -1.000000 0.000000 148.38150
REMARK 290 SMTRY2 40 1.000000 0.000000 0.000000 49.46050
REMARK 290 SMTRY3 40 0.000000 0.000000 1.000000 148.38150
REMARK 290 SMTRY1 41 1.000000 0.000000 0.000000 148.38150
REMARK 290 SMTRY2 41 0.000000 0.000000 1.000000 148.38150
REMARK 290 SMTRY3 41 0.000000 -1.000000 0.000000 49.46050
REMARK 290 SMTRY1 42 -1.000000 0.000000 0.000000 148.38150
REMARK 290 SMTRY2 42 0.000000 0.000000 1.000000 49.46050
REMARK 290 SMTRY3 42 0.000000 1.000000 0.000000 148.38150
REMARK 290 SMTRY1 43 -1.000000 0.000000 0.000000 49.46050
REMARK 290 SMTRY2 43 0.000000 0.000000 -1.000000 148.38150
REMARK 290 SMTRY3 43 0.000000 -1.000000 0.000000 148.38150
REMARK 290 SMTRY1 44 1.000000 0.000000 0.000000 49.46050
REMARK 290 SMTRY2 44 0.000000 0.000000 -1.000000 49.46050
REMARK 290 SMTRY3 44 0.000000 1.000000 0.000000 49.46050
REMARK 290 SMTRY1 45 0.000000 0.000000 1.000000 148.38150
REMARK 290 SMTRY2 45 0.000000 1.000000 0.000000 148.38150
REMARK 290 SMTRY3 45 -1.000000 0.000000 0.000000 49.46050
REMARK 290 SMTRY1 46 0.000000 0.000000 1.000000 49.46050
REMARK 290 SMTRY2 46 0.000000 -1.000000 0.000000 49.46050
REMARK 290 SMTRY3 46 1.000000 0.000000 0.000000 49.46050
REMARK 290 SMTRY1 47 0.000000 0.000000 -1.000000 148.38150
REMARK 290 SMTRY2 47 0.000000 1.000000 0.000000 49.46050
REMARK 290 SMTRY3 47 1.000000 0.000000 0.000000 148.38150
REMARK 290 SMTRY1 48 0.000000 0.000000 -1.000000 49.46050
REMARK 290 SMTRY2 48 0.000000 -1.000000 0.000000 148.38150
REMARK 290 SMTRY3 48 -1.000000 0.000000 0.000000 148.38150
REMARK 290 SMTRY1 49 1.000000 0.000000 0.000000 98.92100
REMARK 290 SMTRY2 49 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY3 49 0.000000 0.000000 1.000000 98.92100
REMARK 290 SMTRY1 50 -1.000000 0.000000 0.000000 98.92100
REMARK 290 SMTRY2 50 0.000000 -1.000000 0.000000 98.92100
REMARK 290 SMTRY3 50 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 51 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 51 0.000000 1.000000 0.000000 98.92100
REMARK 290 SMTRY3 51 0.000000 0.000000 -1.000000 98.92100
REMARK 290 SMTRY1 52 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 52 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY3 52 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY1 53 0.000000 0.000000 1.000000 98.92100
REMARK 290 SMTRY2 53 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY3 53 0.000000 1.000000 0.000000 98.92100
REMARK 290 SMTRY1 54 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY2 54 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY3 54 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY1 55 0.000000 0.000000 -1.000000 98.92100
REMARK 290 SMTRY2 55 -1.000000 0.000000 0.000000 98.92100
REMARK 290 SMTRY3 55 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY1 56 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY2 56 1.000000 0.000000 0.000000 98.92100
REMARK 290 SMTRY3 56 0.000000 -1.000000 0.000000 98.92100
REMARK 290 SMTRY1 57 0.000000 1.000000 0.000000 98.92100
REMARK 290 SMTRY2 57 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY3 57 1.000000 0.000000 0.000000 98.92100
REMARK 290 SMTRY1 58 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY2 58 0.000000 0.000000 1.000000 98.92100
REMARK 290 SMTRY3 58 -1.000000 0.000000 0.000000 98.92100
REMARK 290 SMTRY1 59 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY2 59 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY3 59 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY1 60 0.000000 -1.000000 0.000000 98.92100
REMARK 290 SMTRY2 60 0.000000 0.000000 -1.000000 98.92100
REMARK 290 SMTRY3 60 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY1 61 0.000000 1.000000 0.000000 49.46050
REMARK 290 SMTRY2 61 1.000000 0.000000 0.000000 49.46050
REMARK 290 SMTRY3 61 0.000000 0.000000 -1.000000 49.46050
REMARK 290 SMTRY1 62 0.000000 -1.000000 0.000000 148.38150
REMARK 290 SMTRY2 62 -1.000000 0.000000 0.000000 49.46050
REMARK 290 SMTRY3 62 0.000000 0.000000 -1.000000 148.38150
REMARK 290 SMTRY1 63 0.000000 1.000000 0.000000 148.38150
REMARK 290 SMTRY2 63 -1.000000 0.000000 0.000000 148.38150
REMARK 290 SMTRY3 63 0.000000 0.000000 1.000000 49.46050
REMARK 290 SMTRY1 64 0.000000 -1.000000 0.000000 49.46050
REMARK 290 SMTRY2 64 1.000000 0.000000 0.000000 148.38150
REMARK 290 SMTRY3 64 0.000000 0.000000 1.000000 148.38150
REMARK 290 SMTRY1 65 1.000000 0.000000 0.000000 49.46050
REMARK 290 SMTRY2 65 0.000000 0.000000 1.000000 49.46050
REMARK 290 SMTRY3 65 0.000000 -1.000000 0.000000 49.46050
REMARK 290 SMTRY1 66 -1.000000 0.000000 0.000000 49.46050
REMARK 290 SMTRY2 66 0.000000 0.000000 1.000000 148.38150
REMARK 290 SMTRY3 66 0.000000 1.000000 0.000000 148.38150
REMARK 290 SMTRY1 67 -1.000000 0.000000 0.000000 148.38150
REMARK 290 SMTRY2 67 0.000000 0.000000 -1.000000 49.46050
REMARK 290 SMTRY3 67 0.000000 -1.000000 0.000000 148.38150
REMARK 290 SMTRY1 68 1.000000 0.000000 0.000000 148.38150
REMARK 290 SMTRY2 68 0.000000 0.000000 -1.000000 148.38150
REMARK 290 SMTRY3 68 0.000000 1.000000 0.000000 49.46050
REMARK 290 SMTRY1 69 0.000000 0.000000 1.000000 49.46050
REMARK 290 SMTRY2 69 0.000000 1.000000 0.000000 49.46050
REMARK 290 SMTRY3 69 -1.000000 0.000000 0.000000 49.46050
REMARK 290 SMTRY1 70 0.000000 0.000000 1.000000 148.38150
REMARK 290 SMTRY2 70 0.000000 -1.000000 0.000000 148.38150
REMARK 290 SMTRY3 70 1.000000 0.000000 0.000000 49.46050
REMARK 290 SMTRY1 71 0.000000 0.000000 -1.000000 49.46050
REMARK 290 SMTRY2 71 0.000000 1.000000 0.000000 148.38150
REMARK 290 SMTRY3 71 1.000000 0.000000 0.000000 148.38150
REMARK 290 SMTRY1 72 0.000000 0.000000 -1.000000 148.38150
REMARK 290 SMTRY2 72 0.000000 -1.000000 0.000000 49.46050
REMARK 290 SMTRY3 72 -1.000000 0.000000 0.000000 148.38150
REMARK 290 SMTRY1 73 1.000000 0.000000 0.000000 98.92100
REMARK 290 SMTRY2 73 0.000000 1.000000 0.000000 98.92100
REMARK 290 SMTRY3 73 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 74 -1.000000 0.000000 0.000000 98.92100
REMARK 290 SMTRY2 74 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY3 74 0.000000 0.000000 1.000000 98.92100
REMARK 290 SMTRY1 75 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 75 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY3 75 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY1 76 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 76 0.000000 -1.000000 0.000000 98.92100
REMARK 290 SMTRY3 76 0.000000 0.000000 -1.000000 98.92100
REMARK 290 SMTRY1 77 0.000000 0.000000 1.000000 98.92100
REMARK 290 SMTRY2 77 1.000000 0.000000 0.000000 98.92100
REMARK 290 SMTRY3 77 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY1 78 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY2 78 -1.000000 0.000000 0.000000 98.92100
REMARK 290 SMTRY3 78 0.000000 -1.000000 0.000000 98.92100
REMARK 290 SMTRY1 79 0.000000 0.000000 -1.000000 98.92100
REMARK 290 SMTRY2 79 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY3 79 0.000000 1.000000 0.000000 98.92100
REMARK 290 SMTRY1 80 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY2 80 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY3 80 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY1 81 0.000000 1.000000 0.000000 98.92100
REMARK 290 SMTRY2 81 0.000000 0.000000 1.000000 98.92100
REMARK 290 SMTRY3 81 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY1 82 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY2 82 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY3 82 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY1 83 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY2 83 0.000000 0.000000 -1.000000 98.92100
REMARK 290 SMTRY3 83 -1.000000 0.000000 0.000000 98.92100
REMARK 290 SMTRY1 84 0.000000 -1.000000 0.000000 98.92100
REMARK 290 SMTRY2 84 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY3 84 1.000000 0.000000 0.000000 98.92100
REMARK 290 SMTRY1 85 0.000000 1.000000 0.000000 49.46050
REMARK 290 SMTRY2 85 1.000000 0.000000 0.000000 148.38150
REMARK 290 SMTRY3 85 0.000000 0.000000 -1.000000 148.38150
REMARK 290 SMTRY1 86 0.000000 -1.000000 0.000000 148.38150
REMARK 290 SMTRY2 86 -1.000000 0.000000 0.000000 148.38150
REMARK 290 SMTRY3 86 0.000000 0.000000 -1.000000 49.46050
REMARK 290 SMTRY1 87 0.000000 1.000000 0.000000 148.38150
REMARK 290 SMTRY2 87 -1.000000 0.000000 0.000000 49.46050
REMARK 290 SMTRY3 87 0.000000 0.000000 1.000000 148.38150
REMARK 290 SMTRY1 88 0.000000 -1.000000 0.000000 49.46050
REMARK 290 SMTRY2 88 1.000000 0.000000 0.000000 49.46050
REMARK 290 SMTRY3 88 0.000000 0.000000 1.000000 49.46050
REMARK 290 SMTRY1 89 1.000000 0.000000 0.000000 49.46050
REMARK 290 SMTRY2 89 0.000000 0.000000 1.000000 148.38150
REMARK 290 SMTRY3 89 0.000000 -1.000000 0.000000 148.38150
REMARK 290 SMTRY1 90 -1.000000 0.000000 0.000000 49.46050
REMARK 290 SMTRY2 90 0.000000 0.000000 1.000000 49.46050
REMARK 290 SMTRY3 90 0.000000 1.000000 0.000000 49.46050
REMARK 290 SMTRY1 91 -1.000000 0.000000 0.000000 148.38150
REMARK 290 SMTRY2 91 0.000000 0.000000 -1.000000 148.38150
REMARK 290 SMTRY3 91 0.000000 -1.000000 0.000000 49.46050
REMARK 290 SMTRY1 92 1.000000 0.000000 0.000000 148.38150
REMARK 290 SMTRY2 92 0.000000 0.000000 -1.000000 49.46050
REMARK 290 SMTRY3 92 0.000000 1.000000 0.000000 148.38150
REMARK 290 SMTRY1 93 0.000000 0.000000 1.000000 49.46050
REMARK 290 SMTRY2 93 0.000000 1.000000 0.000000 148.38150
REMARK 290 SMTRY3 93 -1.000000 0.000000 0.000000 148.38150
REMARK 290 SMTRY1 94 0.000000 0.000000 1.000000 148.38150
REMARK 290 SMTRY2 94 0.000000 -1.000000 0.000000 49.46050
REMARK 290 SMTRY3 94 1.000000 0.000000 0.000000 148.38150
REMARK 290 SMTRY1 95 0.000000 0.000000 -1.000000 49.46050
REMARK 290 SMTRY2 95 0.000000 1.000000 0.000000 49.46050
REMARK 290 SMTRY3 95 1.000000 0.000000 0.000000 49.46050
REMARK 290 SMTRY1 96 0.000000 0.000000 -1.000000 148.38150
REMARK 290 SMTRY2 96 0.000000 -1.000000 0.000000 148.38150
REMARK 290 SMTRY3 96 -1.000000 0.000000 0.000000 49.46050
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: TRIMERIC
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A
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 350 BIOMT1 2 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT2 2 0.000000 0.000000 -1.000000 98.92100
REMARK 350 BIOMT3 2 -1.000000 0.000000 0.000000 98.92100
REMARK 350 BIOMT1 3 0.000000 0.000000 -1.000000 98.92100
REMARK 350 BIOMT2 3 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT3 3 0.000000 -1.000000 0.000000 98.92100
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 ALA A 457
REMARK 465 ALA A 458
REMARK 465 ALA A 459
REMARK 465 ALA A 460
REMARK 465 GLN A 461
REMARK 465 ALA A 462
REMARK 465 ALA A 463
REMARK 465 ALA A 464
REMARK 465 VAL A 465
REMARK 465 ALA A 466
REMARK 465 GLY A 467
REMARK 465 ASN A 468
REMARK 465 ILE A 469
REMARK 465 PRO A 470
REMARK 465 GLY A 471
REMARK 465 PRO A 472
REMARK 465 GLY A 473
REMARK 465 SER A 474
REMARK 465 VAL A 475
REMARK 465 GLY A 476
REMARK 465 GLY A 477
REMARK 465 ILE A 478
REMARK 465 ALA A 479
REMARK 465 PRO A 480
REMARK 465 ALA A 481
REMARK 465 ILE A 482
REMARK 465 SER A 483
REMARK 465 LEU A 484
REMARK 465 SER A 485
REMARK 465 ALA A 486
REMARK 465 ALA A 487
REMARK 465 ALA A 488
REMARK 465 GLY A 489
REMARK 465 ILE A 490
REMARK 465 GLY A 491
REMARK 465 PRO A 544
REMARK 465 ILE A 545
REMARK 465 ALA A 546
REMARK 465 ASP A 547
REMARK 465 PRO A 548
REMARK 465 GLN A 549
REMARK 465 PRO A 550
REMARK 465 LEU A 551
REMARK 465 ASP A 552
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 MET A 331 -127.81 66.80
REMARK 500 TYR A 353 -161.46 -77.58
REMARK 500 ASP A 424 39.53 -79.27
REMARK 500 SER A 432 -7.08 72.28
REMARK 500 GLN A 455 53.89 -95.71
REMARK 500 PRO A 511 -55.11 -26.10
REMARK 500 CYS A 523 118.28 -163.08
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1YGS A 319 552 UNP Q13485 SMA4_HUMAN 319 552
SEQRES 1 A 234 ALA PRO GLU TYR TRP CYS SER ILE ALA TYR PHE GLU MET
SEQRES 2 A 234 ASP VAL GLN VAL GLY GLU THR PHE LYS VAL PRO SER SER
SEQRES 3 A 234 CYS PRO ILE VAL THR VAL ASP GLY TYR VAL ASP PRO SER
SEQRES 4 A 234 GLY GLY ASP ARG PHE CYS LEU GLY GLN LEU SER ASN VAL
SEQRES 5 A 234 HIS ARG THR GLU ALA ILE GLU ARG ALA ARG LEU HIS ILE
SEQRES 6 A 234 GLY LYS GLY VAL GLN LEU GLU CYS LYS GLY GLU GLY ASP
SEQRES 7 A 234 VAL TRP VAL ARG CYS LEU SER ASP HIS ALA VAL PHE VAL
SEQRES 8 A 234 GLN SER TYR TYR LEU ASP ARG GLU ALA GLY ARG ALA PRO
SEQRES 9 A 234 GLY ASP ALA VAL HIS LYS ILE TYR PRO SER ALA TYR ILE
SEQRES 10 A 234 LYS VAL PHE ASP LEU ARG GLN CYS HIS ARG GLN MET GLN
SEQRES 11 A 234 GLN GLN ALA ALA THR ALA GLN ALA ALA ALA ALA ALA GLN
SEQRES 12 A 234 ALA ALA ALA VAL ALA GLY ASN ILE PRO GLY PRO GLY SER
SEQRES 13 A 234 VAL GLY GLY ILE ALA PRO ALA ILE SER LEU SER ALA ALA
SEQRES 14 A 234 ALA GLY ILE GLY VAL ASP ASP LEU ARG ARG LEU CYS ILE
SEQRES 15 A 234 LEU ARG MET SER PHE VAL LYS GLY TRP GLY PRO ASP TYR
SEQRES 16 A 234 PRO ARG GLN SER ILE LYS GLU THR PRO CYS TRP ILE GLU
SEQRES 17 A 234 ILE HIS LEU HIS ARG ALA LEU GLN LEU LEU ASP GLU VAL
SEQRES 18 A 234 LEU HIS THR MET PRO ILE ALA ASP PRO GLN PRO LEU ASP
FORMUL 2 HOH *138(H2 O)
HELIX 1 1 GLU A 374 HIS A 382 1 9
HELIX 2 2 TYR A 412 ALA A 418 1 7
HELIX 3 3 LEU A 440 ALA A 454 1 15
HELIX 4 4 ASP A 493 CYS A 499 1 7
HELIX 5 5 ILE A 518 GLU A 520 5 3
HELIX 6 6 HIS A 530 HIS A 541 1 12
SHEET 1 A 5 ARG A 361 CYS A 363 0
SHEET 2 A 5 ILE A 347 ASP A 351 1 N THR A 349 O PHE A 362
SHEET 3 A 5 VAL A 387 LYS A 392 -1 N LEU A 389 O VAL A 348
SHEET 4 A 5 ASP A 396 CYS A 401 -1 N ARG A 400 O GLN A 388
SHEET 5 A 5 TYR A 434 PHE A 438 -1 N PHE A 438 O VAL A 397
SHEET 1 B 2 VAL A 407 VAL A 409 0
SHEET 2 B 2 HIS A 427 ILE A 429 -1 N ILE A 429 O VAL A 407
SHEET 1 C 2 TYR A 322 ILE A 326 0
SHEET 2 C 2 PHE A 339 PRO A 342 -1 N VAL A 341 O TRP A 323
SHEET 1 D 2 ILE A 500 SER A 504 0
SHEET 2 D 2 TRP A 524 HIS A 528 -1 N ILE A 527 O LEU A 501
CRYST1 197.842 197.842 197.842 90.00 90.00 90.00 F 41 3 2 96
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 0.005055 0.000000 0.000000 0.00000
SCALE2 0.000000 0.005055 0.000000 0.00000
SCALE3 0.000000 0.000000 0.005055 0.00000
(ATOM LINES ARE NOT SHOWN.)
END