Structure of PDB 7ctf Chain E Binding Site BS01

Receptor Information
>7ctf Chain E (length=373) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LENVVLCRESQVSILQSLFGERHHFSFPSIFIYGHTASGKTYVTQTLLKT
LELPHVFVNCVECFTLRLLLEQILNKLNHLSTEITCETFNDFVRLFKQVT
TAENLKDQTVYIVLDKAEYLRDMEANLLPGFLRLQELADRNVTVLFLSEI
VWEKFRPNTGCFEPFVLYFPDYSIGNLQKILSHDHPPEYSADFYAAYINI
LLGVFYTVCRDLKELRHLAVLNFPKYCEPVVKGEDTRKLWRNIEPHLKKA
MQTVSAHTHVELPYYSKFILIAAYLASYNPARTDKRFFNHLLGPKPFPLD
RLLAILYSIVDSRVAPTANIFSQITSLVTLQLLTLVGHDDQLDGPKYKCT
VSLDFIRAIARTVNFDIIKYLYD
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 chain7ctf Chain E Residue 901 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7ctf Structural insight into the assembly and conformational activation of human origin recognition complex.
Resolution4.8 Å
Binding residue
(original residue number in PDB)
L9 T39 A40 G42 K43 T44 Y45 L222
Binding residue
(residue number reindexed from 1)
L6 T36 A37 G39 K40 T41 Y42 L212
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

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Molecular Function

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Biological Process

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Cellular Component
External links
PDB RCSB:7ctf, PDBe:7ctf, PDBj:7ctf
PDBsum7ctf
PubMed33298899
UniProtO43913|ORC5_HUMAN Origin recognition complex subunit 5 (Gene Name=ORC5)

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