Structure of PDB 7jpq Chain E Binding Site BS01

Receptor Information
>7jpq Chain E (length=404) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NVVLCRESQVSILQSLFGERHHFSFPSIFIYGHTASGKTYVTQTLLKTLE
LPHVFVNCVECFTLRLLLEQILNKLNHLSSTEITCETFNDFVRLFKQVTT
AENLKDQTVYIVLDKAEYLRDMEANLLPGFLRLQELADRNVTVLFLSEIV
WEKFRPNTGCFEPFVLYFPDYSIGNLQKILSHDHPPEYSADFYAAYINIL
LGVFYTVCRDLKELRHLAVLNFPKYCEPVVKGEASERDTRKLWRNIEPHL
KKAMQTVYLREISSSQWEKLQKDDTDPGQLKGLSAHTHVELPYYSKFILI
AAYLASYNPARTDKRFFLSNHLLGPKPFPLDRLLAILYSIVDSRVAPTAN
IFSQITSLVTLQLLTLVGHDDQLDGPKYKCTVSLDFIRAIARTVNFDIIK
YLYD
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 chain7jpq Chain E Residue 501 [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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PDB7jpq The dynamic nature of the human Origin Recognition Complex revealed through five cryoEM structures.
Resolution3.5 Å
Binding residue
(original residue number in PDB)		L9 T39 A40 K43 T44 Y45 Y182 I190 L222
Binding residue
(residue number reindexed from 1)		L4 T34 A35 K38 T39 Y40 Y171 I179 L211
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003674 molecular_function
GO:0003688 DNA replication origin binding
GO:0005515 protein binding
GO:0005524 ATP binding
Biological Process
GO:0006260 DNA replication
GO:0006270 DNA replication initiation
GO:0006275 regulation of DNA replication
Cellular Component
GO:0000781 chromosome, telomeric region
GO:0000785 chromatin
GO:0000808 origin recognition complex
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005664 nuclear origin of replication recognition complex
GO:0005694 chromosome
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7jpq, PDBe:7jpq, PDBj:7jpq
PDBsum7jpq
PubMed32808929
UniProtO43913|ORC5_HUMAN Origin recognition complex subunit 5 (Gene Name=ORC5)

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