Structure of PDB 3gqc Chain B Binding Site BS03

Receptor Information
>3gqc Chain B (length=440) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SDCNFISNFYSHSRLHHISMWKCELTEFVNTLQRQSNGIFPGREKLKKMQ
SCIMHVDMDCFFVSVGIRNRPDLKGKPVAVTSNRGTGRAPLRPGANPQLE
WQYYQNKANGIDSVLSRAEIASCSYEARQLGIKNGMFFGHAKQLCPNLQA
VPYDFHAYKEVAQTLYETLASYTHNIEAVSCDEALVDITEILAETKLTPD
EFANAVRMEIKDQTKCAASVGIGSNILLARMATRKAKPDGQYHLKPEEVD
DFIRGQLVTNLPGVGHSMESKLASLGIKTCGDLQYMTMAKLQKEFGPKTG
QMLYRFCRGLDDRPVRTEKERKSVSAEINYGIRFTQPKEAEAFLLSLSEE
IQRRLEATGMKGKRLTLKIMVRKPGAPVETAKFGGHGICDNIARTVTLDQ
ATDNAKIIGKAMLNMFHTMKLNISDMRGVGIHVNQLVPTN
Ligand information
Ligand IDDCP
InChIInChI=1S/C9H16N3O13P3/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(23-8)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H,20,21)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
InChIKeyRGWHQCVHVJXOKC-SHYZEUOFSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)CC2O
OpenEye OEToolkits 1.5.0C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
CACTVS 3.341NC1=NC(=O)N(C=C1)[C@H]2C[C@H](O)[C@@H](CO[P@](O)(=O)O[P@](O)(=O)O[P](O)(O)=O)O2
OpenEye OEToolkits 1.5.0C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O
CACTVS 3.341NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O2
FormulaC9 H16 N3 O13 P3
Name2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL560403
DrugBankDB03258
ZINCZINC000008215945
PDB chain3gqc Chain B Residue 101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3gqc Structure of the human Rev1-DNA-dNTP ternary complex.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		R357 M424 C426 F427 F428 A509 S510 Y513 R516 N522 D570 K625
Binding residue
(residue number reindexed from 1)		R14 M58 C60 F61 F62 A121 S122 Y125 R128 N134 D182 K237
Annotation score4
Enzymatic activity
Enzyme Commision number 2.7.7.-
Gene Ontology
Molecular Function
GO:0003684 damaged DNA binding
GO:0003887 DNA-directed DNA polymerase activity
Biological Process
GO:0006281 DNA repair

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:3gqc, PDBe:3gqc, PDBj:3gqc
PDBsum3gqc
PubMed19464298
UniProtQ9UBZ9|REV1_HUMAN DNA repair protein REV1 (Gene Name=REV1)

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