Header list of 1cmo.pdb file
Complete list - b 16 2 Bytes
HEADER TRANSCRIPTION 11-MAY-99 1CMO
TITLE IMMUNOGLOBULIN MOTIF DNA-RECOGNITION AND HETERODIMERIZATION FOR THE
TITLE 2 PEBP2/CBF RUNT-DOMAIN
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: POLYOMAVIRUS ENHANCER BINDING PROTEIN 2;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: CORE-BINDING FACTOR ALPHA B SUBUNIT, RUNT DOMAIN;
COMPND 5 SYNONYM: ACUTE MYELOID LEUKEMIA 1 PROTEIN, AML1/OSF2, PEBP2-ALPHA B;
COMPND 6 ENGINEERED: YES;
COMPND 7 MUTATION: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
SOURCE 3 ORGANISM_COMMON: HUMAN;
SOURCE 4 ORGANISM_TAXID: 9606;
SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008;
SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);
SOURCE 8 EXPRESSION_SYSTEM_CELLULAR_LOCATION: CYTOPLASM;
SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PQE9
KEYWDS TRANSCRIPTION FACTOR, HEMATOPOIESIS, OSTEOGENESIS, IG-FOLD,
KEYWDS 2 TRANSCRIPTION
EXPDTA SOLUTION NMR
NUMMDL 43
AUTHOR T.NAGATA,V.GUPTA,D.SORCE,W.Y.KIM,A.SALI,B.T.CHAIT,K.SHIGESADA,Y.ITO,
AUTHOR 2 M.H.WERNER
REVDAT 5 16-FEB-22 1CMO 1 REMARK
REVDAT 4 24-FEB-09 1CMO 1 VERSN
REVDAT 3 01-APR-03 1CMO 1 JRNL
REVDAT 2 18-JAN-00 1CMO 1 HEADER COMPND
REVDAT 1 05-JAN-00 1CMO 0
JRNL AUTH T.NAGATA,V.GUPTA,D.SORCE,W.Y.KIM,A.SALI,B.T.CHAIT,
JRNL AUTH 2 K.SHIGESADA,Y.ITO,M.H.WERNER
JRNL TITL IMMUNOGLOBULIN MOTIF DNA RECOGNITION AND HETERODIMERIZATION
JRNL TITL 2 OF THE PEBP2/CBF RUNT DOMAIN.
JRNL REF NAT.STRUCT.BIOL. V. 6 615 1999
JRNL REFN ISSN 1072-8368
JRNL PMID 10404214
JRNL DOI 10.1038/10658
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : NMRPIPE, X-PLOR 3.843
REMARK 3 AUTHORS : BRUNGER (X-PLOR)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1CMO COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 12-MAY-99.
REMARK 100 THE DEPOSITION ID IS D_1000001041.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 310
REMARK 210 PH : 6.8
REMARK 210 IONIC STRENGTH : 10MM
REMARK 210 PRESSURE : 1 ATM
REMARK 210 SAMPLE CONTENTS : 96% H2O/4% D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : ALL STANDARD
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 600 MHZ
REMARK 210 SPECTROMETER MODEL : DMX500; DMX600
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : PIPP, STAPP, X-PLOR
REMARK 210 METHOD USED : HYBRID DISTANCE
REMARK 210 GEOMETRY/SIMULATED ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 300
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 43
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LEAST
REMARK 210 RESTRAINT VIOLATIONS
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL
REMARK 210
REMARK 210 REMARK: ALL STANDARD
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
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 HG SER A 67 O VAL A 159 1.46
REMARK 500 OG1 THR A 101 H LEU A 102 1.60
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 ALA A 56 -74.90 -86.97
REMARK 500 1 LEU A 75 78.42 -108.97
REMARK 500 1 PRO A 76 27.45 -68.01
REMARK 500 1 LYS A 83 -123.66 -160.19
REMARK 500 1 THR A 84 43.64 -79.94
REMARK 500 1 VAL A 97 60.07 -167.63
REMARK 500 1 THR A 101 -154.20 -121.10
REMARK 500 1 ALA A 107 46.13 -153.03
REMARK 500 1 ALA A 115 161.94 -49.13
REMARK 500 1 THR A 121 75.40 -103.56
REMARK 500 1 ASN A 126 -118.49 -126.35
REMARK 500 1 ASN A 132 -81.55 -93.95
REMARK 500 1 ASP A 133 15.00 -69.99
REMARK 500 1 LEU A 134 108.18 -38.73
REMARK 500 1 PHE A 153 63.34 -106.65
REMARK 500 1 THR A 154 -119.91 -95.27
REMARK 500 1 PRO A 156 74.01 -109.86
REMARK 500 1 PRO A 157 109.38 -32.73
REMARK 500 1 PRO A 173 -162.25 -60.16
REMARK 500 1 PRO A 176 2.45 -53.83
REMARK 500 2 ALA A 56 -6.71 -163.85
REMARK 500 2 ASP A 57 -104.95 -84.86
REMARK 500 2 TRP A 79 -168.34 -116.29
REMARK 500 2 LYS A 83 -101.71 -153.72
REMARK 500 2 THR A 84 30.47 -90.20
REMARK 500 2 LEU A 85 68.03 -110.93
REMARK 500 2 PRO A 86 -174.27 -68.20
REMARK 500 2 VAL A 97 40.93 -166.41
REMARK 500 2 THR A 101 -156.01 -119.82
REMARK 500 2 ALA A 107 45.29 -147.41
REMARK 500 2 ASN A 126 -112.52 -122.67
REMARK 500 2 ASN A 132 -106.34 -93.73
REMARK 500 2 ASP A 133 45.82 -67.19
REMARK 500 2 PHE A 153 56.72 -97.93
REMARK 500 2 THR A 154 -144.85 -82.80
REMARK 500 2 PRO A 156 70.68 -104.80
REMARK 500 2 PRO A 157 128.42 -29.72
REMARK 500 2 ARG A 164 -163.37 -178.58
REMARK 500 2 THR A 169 -155.13 -147.37
REMARK 500 2 PRO A 173 159.98 -36.96
REMARK 500 3 VAL A 54 -40.76 -151.38
REMARK 500 3 ALA A 56 -113.12 -150.66
REMARK 500 3 PRO A 59 -53.58 -28.65
REMARK 500 3 PRO A 68 28.44 -78.00
REMARK 500 3 ASN A 69 -29.80 -143.03
REMARK 500 3 PRO A 76 113.06 -27.95
REMARK 500 3 LYS A 83 -126.58 -148.58
REMARK 500 3 THR A 84 49.15 -73.44
REMARK 500 3 PRO A 86 -162.80 -76.37
REMARK 500 3 VAL A 97 44.30 -166.04
REMARK 500
REMARK 500 THIS ENTRY HAS 768 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1CMO A 52 178 UNP Q01196 RUNX1_HUMAN 52 178
SEQADV 1CMO SER A 81 UNP Q01196 CYS 81 SEE REMARK 999
SEQRES 1 A 127 VAL GLU VAL LEU ALA ASP HIS PRO GLY GLU LEU VAL ARG
SEQRES 2 A 127 THR ASP SER PRO ASN PHE LEU CYS SER VAL LEU PRO THR
SEQRES 3 A 127 HIS TRP ARG SER ASN LYS THR LEU PRO ILE ALA PHE LYS
SEQRES 4 A 127 VAL VAL ALA LEU GLY ASP VAL PRO ASP GLY THR LEU VAL
SEQRES 5 A 127 THR VAL MET ALA GLY ASN ASP GLU ASN TYR SER ALA GLU
SEQRES 6 A 127 LEU ARG ASN ALA THR ALA ALA MET LYS ASN GLN VAL ALA
SEQRES 7 A 127 ARG PHE ASN ASP LEU ARG PHE VAL GLY ARG SER GLY ARG
SEQRES 8 A 127 GLY LYS SER PHE THR LEU THR ILE THR VAL PHE THR ASN
SEQRES 9 A 127 PRO PRO GLN VAL ALA THR TYR HIS ARG ALA ILE LYS ILE
SEQRES 10 A 127 THR VAL ASP GLY PRO ARG GLU PRO ARG ARG
HELIX 1 1 VAL A 54 ASP A 57 1 4
SHEET 1 SO 1 VAL A 63 ARG A 64 0
SHEET 1 SA 1 PHE A 70 SER A 73 0
SHEET 1 SB 1 PHE A 89 ALA A 93 0
SHEET 1 SC1 1 GLY A 100 ASN A 109 0
SHEET 1 SD 1 SER A 114 ARG A 118 0
SHEET 1 SC2 1 THR A 121 LYS A 125 0
SHEET 1 SE1 1 VAL A 128 PHE A 131 0
SHEET 1 SE2 1 ARG A 135 ARG A 139 0
SHEET 1 SF 1 PHE A 146 VAL A 152 0
SHEET 1 SG 1 GLN A 158 ARG A 164 0
SHEET 1 SP1 1 HIS A 78 ARG A 80 0
SHEET 1 SP2 1 LYS A 167 THR A 169 0
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
Complete list - b 16 2 Bytes