Header list of 2cqf.pdb file
Complete list - r 9 2 Bytes
HEADER TRANSCRIPTION 19-MAY-05 2CQF
TITLE SOLUTION STRUCTURE OF THE ZINC-FINGER DOMAIN IN LIN-28
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: RNA-BINDING PROTEIN LIN-28;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: ZINC-FINGER (130-192);
COMPND 5 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: LIN28;
SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 7 EXPRESSION_SYSTEM_PLASMID: P041101-01;
SOURCE 8 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS
KEYWDS CCHC ZINC-FINGER, STRUCTURAL GENOMICS, NPPSFA, NATIONAL PROJECT ON
KEYWDS 2 PROTEIN STRUCTURAL AND FUNCTIONAL ANALYSES, RIKEN STRUCTURAL
KEYWDS 3 GENOMICS/PROTEOMICS INITIATIVE, RSGI, TRANSCRIPTION
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR T.SOMEYA,Y.MUTO,M.INOUE,T.KIGAWA,T.TERADA,M.SHIROUZU,S.YOKOYAMA,RIKEN
AUTHOR 2 STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE (RSGI)
REVDAT 3 09-MAR-22 2CQF 1 REMARK SEQADV LINK
REVDAT 2 24-FEB-09 2CQF 1 VERSN
REVDAT 1 19-NOV-05 2CQF 0
JRNL AUTH T.SOMEYA,Y.MUTO,M.INOUE,T.KIGAWA,T.TERADA,M.SHIROUZU,
JRNL AUTH 2 S.YOKOYAMA
JRNL TITL SOLUTION STRUCTURE OF THE ZINC-FINGER DOMAIN IN LIN-28
JRNL REF TO BE PUBLISHED
JRNL REFN
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : XWINNMR 3.5, CYANA 2.0.17
REMARK 3 AUTHORS : BRUKER (XWINNMR), GUNTERT, P. (CYANA)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 2CQF COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 24-MAY-05.
REMARK 100 THE DEPOSITION ID IS D_1000024506.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 7.0
REMARK 210 IONIC STRENGTH : 120MM
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 1.13MM PROTEIN U-15N,13C; 20MM D
REMARK 210 -TRIS-HCL(PH7.0); 100MM NACL;
REMARK 210 1MM D-DTT; 0.02% NAN3; 0.25MM
REMARK 210 ZNCL2+1MM IDA; 10% D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY; 3D_13C
REMARK 210 -SEPARATED_NOESY
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 : NMRPIPE 20030801, NMRVIEW 5.0.4,
REMARK 210 KUJIRA 0.9295, CYANA 2.0.17
REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS,
REMARK 210 RESTRAINTED MOLECULAR DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : TARGET FUNCTION, STRUCTURES WITH
REMARK 210 THE LOWEST ENERGY, STRUCTURES
REMARK 210 WITH THE LEAST RESTRAINT
REMARK 210 VIOLATIONS
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
REMARK 210
REMARK 210 REMARK: NULL
REMARK 215
REMARK 215 NMR STUDY
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION
REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON
REMARK 215 THESE RECORDS ARE MEANINGLESS.
REMARK 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: 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 CYS A 139 109.40 -53.49
REMARK 500 1 TYR A 140 42.27 -80.06
REMARK 500 1 ASN A 141 -56.60 -133.53
REMARK 500 1 CYS A 152 148.13 -33.66
REMARK 500 1 LEU A 154 153.02 -37.74
REMARK 500 1 GLN A 157 157.92 -41.31
REMARK 500 1 PRO A 158 6.27 -69.83
REMARK 500 1 LYS A 159 -174.82 -53.56
REMARK 500 1 HIS A 162 34.89 -90.28
REMARK 500 1 PHE A 163 -53.45 -130.34
REMARK 500 1 SER A 168 -75.17 -65.59
REMARK 500 1 CYS A 174 118.64 -35.32
REMARK 500 1 ALA A 178 37.81 -95.35
REMARK 500 2 CYS A 139 116.85 -39.45
REMARK 500 2 TYR A 140 39.72 -83.25
REMARK 500 2 ASN A 141 -61.20 -131.33
REMARK 500 2 CYS A 152 152.49 -35.33
REMARK 500 2 LEU A 154 156.11 -38.07
REMARK 500 2 GLN A 157 155.93 -46.95
REMARK 500 2 PRO A 158 9.98 -69.80
REMARK 500 2 HIS A 162 30.23 -86.78
REMARK 500 2 PHE A 163 -51.01 -123.61
REMARK 500 2 ILE A 167 -19.41 -48.14
REMARK 500 2 SER A 168 -71.92 -62.78
REMARK 500 2 CYS A 174 122.51 -34.60
REMARK 500 2 PRO A 189 3.02 -69.80
REMARK 500 3 TYR A 140 37.82 -91.34
REMARK 500 3 ASN A 141 -60.25 -128.77
REMARK 500 3 CYS A 152 153.19 -35.79
REMARK 500 3 LEU A 154 156.62 -39.24
REMARK 500 3 GLN A 157 157.63 -43.45
REMARK 500 3 PRO A 158 12.05 -69.83
REMARK 500 3 LYS A 159 170.40 -44.89
REMARK 500 3 HIS A 162 32.95 -85.73
REMARK 500 3 PHE A 163 -55.53 -129.07
REMARK 500 3 CYS A 174 113.09 -38.36
REMARK 500 4 TYR A 140 38.87 -90.93
REMARK 500 4 ASN A 141 -55.90 -130.15
REMARK 500 4 CYS A 152 145.51 -33.93
REMARK 500 4 LEU A 154 157.93 -38.30
REMARK 500 4 PRO A 158 7.55 -69.76
REMARK 500 4 LYS A 159 -175.65 -51.06
REMARK 500 4 CYS A 161 126.63 -36.09
REMARK 500 4 HIS A 162 37.23 -92.22
REMARK 500 4 PHE A 163 -52.59 -132.10
REMARK 500 4 SER A 168 -71.91 -52.14
REMARK 500 4 CYS A 174 113.96 -37.74
REMARK 500 4 GLN A 179 47.57 -79.70
REMARK 500 5 SER A 131 85.59 -65.25
REMARK 500 5 TYR A 140 37.99 -87.06
REMARK 500
REMARK 500 THIS ENTRY HAS 274 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 620
REMARK 620 METAL COORDINATION
REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):
REMARK 620
REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL
REMARK 620 ZN A 330 ZN
REMARK 620 N RES CSSEQI ATOM
REMARK 620 1 CYS A 139 SG
REMARK 620 2 CYS A 142 SG 112.1
REMARK 620 3 HIS A 147 NE2 116.5 99.6
REMARK 620 4 CYS A 152 SG 118.2 118.5 88.0
REMARK 620 N 1 2 3
REMARK 620
REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL
REMARK 620 ZN A 530 ZN
REMARK 620 N RES CSSEQI ATOM
REMARK 620 1 CYS A 161 SG
REMARK 620 2 CYS A 164 SG 119.2
REMARK 620 3 HIS A 169 NE2 105.9 92.4
REMARK 620 4 CYS A 174 SG 118.9 119.0 88.4
REMARK 620 N 1 2 3
REMARK 800
REMARK 800 SITE
REMARK 800 SITE_IDENTIFIER: AC1
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 330
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC2
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 530
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: HSI002013570.1 RELATED DB: TARGETDB
DBREF 2CQF A 137 186 UNP Q9H9Z2 Q9H9Z2_HUMAN 137 186
SEQADV 2CQF GLY A 130 UNP Q9H9Z2 CLONING ARTIFACT
SEQADV 2CQF SER A 131 UNP Q9H9Z2 CLONING ARTIFACT
SEQADV 2CQF SER A 132 UNP Q9H9Z2 CLONING ARTIFACT
SEQADV 2CQF GLY A 133 UNP Q9H9Z2 CLONING ARTIFACT
SEQADV 2CQF SER A 134 UNP Q9H9Z2 CLONING ARTIFACT
SEQADV 2CQF SER A 135 UNP Q9H9Z2 CLONING ARTIFACT
SEQADV 2CQF GLY A 136 UNP Q9H9Z2 CLONING ARTIFACT
SEQADV 2CQF SER A 187 UNP Q9H9Z2 CLONING ARTIFACT
SEQADV 2CQF GLY A 188 UNP Q9H9Z2 CLONING ARTIFACT
SEQADV 2CQF PRO A 189 UNP Q9H9Z2 CLONING ARTIFACT
SEQADV 2CQF SER A 190 UNP Q9H9Z2 CLONING ARTIFACT
SEQADV 2CQF SER A 191 UNP Q9H9Z2 CLONING ARTIFACT
SEQADV 2CQF GLY A 192 UNP Q9H9Z2 CLONING ARTIFACT
SEQRES 1 A 63 GLY SER SER GLY SER SER GLY ASP ARG CYS TYR ASN CYS
SEQRES 2 A 63 GLY GLY LEU ASP HIS HIS ALA LYS GLU CYS LYS LEU PRO
SEQRES 3 A 63 PRO GLN PRO LYS LYS CYS HIS PHE CYS GLN SER ILE SER
SEQRES 4 A 63 HIS MET VAL ALA SER CYS PRO LEU LYS ALA GLN GLN GLY
SEQRES 5 A 63 PRO SER ALA GLN GLY SER GLY PRO SER SER GLY
HET ZN A 330 1
HET ZN A 530 1
HETNAM ZN ZINC ION
FORMUL 2 ZN 2(ZN 2+)
LINK SG CYS A 139 ZN ZN A 330 1555 1555 2.33
LINK SG CYS A 142 ZN ZN A 330 1555 1555 2.33
LINK NE2 HIS A 147 ZN ZN A 330 1555 1555 2.37
LINK SG CYS A 152 ZN ZN A 330 1555 1555 2.33
LINK SG CYS A 161 ZN ZN A 530 1555 1555 2.32
LINK SG CYS A 164 ZN ZN A 530 1555 1555 2.32
LINK NE2 HIS A 169 ZN ZN A 530 1555 1555 2.33
LINK SG CYS A 174 ZN ZN A 530 1555 1555 2.32
SITE 1 AC1 4 CYS A 139 CYS A 142 HIS A 147 CYS A 152
SITE 1 AC2 4 CYS A 161 CYS A 164 HIS A 169 CYS A 174
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 - r 9 2 Bytes