Structure of PDB 7w1y Chain B Binding Site BS02

Receptor Information
>7w1y Chain B (length=651) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AGTVVLDDVELREAQRDYLDFLDDEEDQGIYQSKVRELISDNQYRLIVNV
NDLRRKNEKRANRLLNNAFEELVAFQRALKDFVASIDATYAKQYEEFYVG
LEGSFGSKHVSPRTLTSCFLSCVVCVEGIVTKCSLVRPKVVRSVHYCPAT
KKTIERRYSDLTTLVAFPSSSVYPTKDEENNPLETEYGLSVYKDHQTITI
QEMPEKAPAGQLPRSVDVILDDDLVDKAKPGDRVQVVGTYRCLPGKKGGY
TSGTFRTVLIACNVKQMSKDAQPSFSAEDIAKIKKFSKTRSKDIFDQLAK
SLAPSIHGHDYVKKAILCLLLGGVERDLENGSHIRGDINILLIGDPSVAK
SQLLRYVLCTAPRAIPTTGRGSSGVGLTAAVTTDQETGERRLEAGAMVLA
DRGVVCIDEFDKMSDMDRTAIHEVMEQGRVTIAKAGIHARLNARCSVLAA
ANPVYGRYDQYKTPMENIGLQDSLLSRFDLLFIMLDQMDPEQDREISDHV
LRMHRYRAPGEQDGDAMPLGSAVDILATDDPNFSQIYEKHDNLLHGTKKK
KEKMVSAAFMKKYIHVAKIIKPVLTQESATYIAEEYSRLRSQDSMSSDTA
RTSPVTARTLETLIRLATAHAKARMSKTVDLQDAEEAVELVQYAYFKKVL
E
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain7w1y Chain B Residue 1101 [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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PDB7w1y The human pre-replication complex is an open complex.
Resolution2.59 Å
Binding residue
(original residue number in PDB)		I307 H308 P347 S348 V349 A350 K351 S352 Q353 N453 V501
Binding residue
(residue number reindexed from 1)		I306 H307 P346 S347 V348 A349 K350 S351 Q352 N452 V500
Annotation score5
Enzymatic activity
Enzyme Commision number 3.6.4.12: DNA helicase.
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003697 single-stranded DNA binding
GO:0004386 helicase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016787 hydrolase activity
GO:0016887 ATP hydrolysis activity
GO:0017116 single-stranded DNA helicase activity
Biological Process
GO:0000727 double-strand break repair via break-induced replication
GO:0006139 nucleobase-containing compound metabolic process
GO:0006260 DNA replication
GO:0006268 DNA unwinding involved in DNA replication
GO:0006270 DNA replication initiation
GO:0006271 DNA strand elongation involved in DNA replication
GO:0030174 regulation of DNA-templated DNA replication initiation
GO:0032508 DNA duplex unwinding
GO:1902975 mitotic DNA replication initiation
Cellular Component
GO:0000781 chromosome, telomeric region
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005658 alpha DNA polymerase:primase complex
GO:0005694 chromosome
GO:0005730 nucleolus
GO:0005737 cytoplasm
GO:0005813 centrosome
GO:0016020 membrane
GO:0042555 MCM complex
GO:0048471 perinuclear region of cytoplasm
GO:0071162 CMG complex

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7w1y, PDBe:7w1y, PDBj:7w1y
PDBsum7w1y
PubMed36608662
UniProtP25205|MCM3_HUMAN DNA replication licensing factor MCM3 (Gene Name=MCM3)

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