Structure of PDB 7cod Chain A Binding Site BS04

Receptor Information
>7cod Chain A (length=328) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PAYACQRPTPLTHHNTGLSEALEILAEAAGFEGSEGRLLTFCRAASVLKA
LPSPVTTLSQLQGLPHFGEHSSRVVQELLEHGVCEEVERVRRSERYQTMK
LFTQIFGVGVKTADRWYREGLRTLDDLREQPQKLTQQQKAGLQHHQDLST
PVLRSDVDALQQVVEEAVGQALPGATVTLTGGFRRGKLQGHDVDFLITHP
KEGQEAGLLPRVMCRLQDQGLILYHQHQDAFERSFCIFRLPQPGSWKAVR
VDLVVAPVSQFPFALLGWTGSALFARELRRFSRKEKGLWLNSHGLFDPEQ
KTFFQAASEEDIFRHLGLEYLPPEQRNA
Ligand information
Ligand IDDGT
InChIInChI=1S/C10H16N5O13P3/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1
InChIKeyHAAZLUGHYHWQIW-KVQBGUIXSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc2c(n1C3CC(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O3
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[C@H]3C[C@H](O)[C@@H](CO[P@](O)(=O)O[P@](O)(=O)O[P](O)(O)=O)O3
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N
FormulaC10 H16 N5 O13 P3
Name2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL477486
DrugBankDB02181
ZINCZINC000008215755
PDB chain7cod Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7cod Mechanism of genome instability mediated by human DNA polymerase mu misincorporation.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		G319 G320 R323 G328 H329 D330 D332 G433 W434 G436
Binding residue
(residue number reindexed from 1)		G181 G182 R185 G190 H191 D192 D194 G267 W268 G270
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.7: DNA-directed DNA polymerase.
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003887 DNA-directed DNA polymerase activity
GO:0005515 protein binding
GO:0016779 nucleotidyltransferase activity
GO:0034061 DNA polymerase activity
GO:0046872 metal ion binding
Biological Process
GO:0006281 DNA repair
GO:0006303 double-strand break repair via nonhomologous end joining
GO:0006310 DNA recombination
GO:0071897 DNA biosynthetic process
Cellular Component
GO:0005634 nucleus
GO:0005654 nucleoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7cod, PDBe:7cod, PDBj:7cod
PDBsum7cod
PubMed34145298
UniProtQ9NP87|DPOLM_HUMAN DNA-directed DNA/RNA polymerase mu (Gene Name=POLM)

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