Structure of PDB 7ctg Chain D Binding Site BS01

Receptor Information
>7ctg Chain D (length=406) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TECLSQVQRILRERFCRQSPHSNLFGVQVQYKHLSELLKRTALHGESNSV
LIIGPRGSGKTMLINHALKELMEIEESENVLQVHLNGLLQINDKIALKEI
TRQLNLENVVGDKVFGSFAENLSFLLEALKKGCPVIFILDEFDLFAHHKN
QTLLYNLFDISQSAQTPIAVIGLTCRLDILELLEKRVKSRFSHRQIHLMN
SFGFPQYVKIFKEQLSLPAEFPDKVFAEKWNENVQYLSEDRSVQEVLQKH
FNISKNLRSLHMLLMLALNRVTASHPFMTAVDLMEASQLCSMDSKANIVH
GLSVLEICLIIAMKHLNDIYEEEPFNFQMVYNEFQKFVQRKAHSVYNFEK
PVVMKAFEHLQQLELIKPMEREYQLMKLLLDNTQIMNALQKYPNCPTDVR
QWATSS
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 chain7ctg Chain D Residue 901 [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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PDB7ctg Structural insight into the assembly and conformational activation of human origin recognition complex.
Resolution5.0 Å
Binding residue
(original residue number in PDB)		Q31 H34 F38 V40 R69 G70 S71 G72 K73 T74 M75 L276 R277 H280
Binding residue
(residue number reindexed from 1)		Q18 H21 F25 V27 R56 G57 S58 G59 K60 T61 M62 L257 R258 H261
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003677 DNA binding
GO:0003688 DNA replication origin binding
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
Biological Process
GO:0006260 DNA replication
GO:0006270 DNA replication initiation
GO:0040038 polar body extrusion after meiotic divisions
GO:0051258 protein polymerization
Cellular Component
GO:0000781 chromosome, telomeric region
GO:0000808 origin recognition complex
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005664 nuclear origin of replication recognition complex
GO:0005730 nucleolus
GO:0005737 cytoplasm
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7ctg, PDBe:7ctg, PDBj:7ctg
PDBsum7ctg
PubMed33298899
UniProtO43929|ORC4_HUMAN Origin recognition complex subunit 4 (Gene Name=ORC4)

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