Structure of PDB 7w1y Chain F Binding Site BS04

Receptor Information
>7w1y Chain F (length=643) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LKDYALEKEKVKKFLQEFYQDDELGKKQFKYGNQLVRLAHREQVALYVDL
DDVAEDDPELVDSICENARRYAKLFADAVQELLPQYKEREVVNKDVLDVY
IEHRLMMEQRSRDPGMVRSPQNQYPAELMRRFELYFQGPSSNKPRVIREV
RADSVGKLVTVRGIVTRVSEVKPKMVVATYTCDQCGAETYQPIQSPTFMP
LIMCPSQECQTNRSGGRLYLQTRGSRFIKFQEMKMQEHSDQVPVGNIPRS
ITVLVEGENTRIAQPGDHVSVTGIFLPILRTGFRQVVQGLLSETYLEAHR
IVKMNKSEDDESGAGELTREELRQIAEEDFYEKLAASIAPEIYGHEDVKK
ALLLLLVGGVDQSPRGMKIRGNINICLMGDPGVAKSQLLSYIDRLAPRSQ
YTTGRGSSGVGLTAAVLRDSVSGELTLEGGALVLADQGVCCIDEFDKMAE
ADRTAIHEVMEQQTISIAKAGILTTLNARCSILAAANPAYGRYNPRRSLE
QNIQLPAALLSRFDLLWLIQDRPDRDNDLRLAQHITYVHQHSRQPPSQFE
PLDMKLMRRYIAMCREKQPMVPESLADYITAAYVEMRREAWASKDATYTS
ARTLLAILRLSTALARLRMVDVVEKEDVNEAIRLMEMSKDSLL
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 F Residue 803 [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)		I344 Y345 G384 V385 A386 K387 S388 Q389 N489 L533 I537
Binding residue
(residue number reindexed from 1)		I342 Y343 G382 V383 A384 K385 S386 Q387 N487 L531 I535
Annotation score5
Enzymatic activity
Enzyme Commision number 3.6.4.12: DNA helicase.
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003678 DNA helicase activity
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:0006974 DNA damage response
GO:0008283 cell population proliferation
GO:0030174 regulation of DNA-templated DNA replication initiation
GO:0032508 DNA duplex unwinding
GO:0042325 regulation of phosphorylation
GO:0071466 cellular response to xenobiotic stimulus
Cellular Component
GO:0000781 chromosome, telomeric region
GO:0000785 chromatin
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005694 chromosome
GO:0005730 nucleolus
GO:0005829 cytosol
GO:0016020 membrane
GO:0042555 MCM complex
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
UniProtP33993|MCM7_HUMAN DNA replication licensing factor MCM7 (Gene Name=MCM7)

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