Structure of PDB 7jgr Chain G Binding Site BS02

Receptor Information
>7jgr Chain G (length=372) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RNKYQNARRVLNSAETQNLPGRESQLQELREFFSNHLESQTSGSLYVSGQ
PGTGKTACLSLLLRDPDFSKRLQRVYINCTSIASVGAVYKKLCTELQLKV
SGRTERDHLEAIQRHLKTAKRMLLLVLDEIDQLCTSRQEVLYTIFEWPAL
PGSRILLVGIANSLDLTDRALMRLNARCELKPRLMHFPPYSKQQIVEIFK
SRLAEAEVLDVFPPVTLQLLAAKVSAISGDVRRALDIGRRVVEIAEQQKR
LKPVQVTQVAAVLNKVYFPLQQKLMLCTLVLMLRNERNKDISMGRLHEVY
RRVCAKRNILALDQAEFTGTVDLVETRGILRIMRKKEPRLHKVLLQWDEE
EVHAALSDKQLIASILSDTACL
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 chain7jgr Chain G 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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PDB7jgr Structural mechanism for replication origin binding and remodeling by a metazoan origin recognition complex and its co-loader Cdc6.
Resolution3.9 Å
Binding residue
(original residue number in PDB)		A262 P268 G269 P299 G300 G302 K303 T304 A305 Y438 I446 R450 V479 R480
Binding residue
(residue number reindexed from 1)		A14 P20 G21 P51 G52 G54 K55 T56 A57 Y190 I198 R202 V231 R232
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016887 ATP hydrolysis activity
Biological Process
GO:0006270 DNA replication initiation
GO:0051301 cell division

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:7jgr, PDBe:7jgr, PDBj:7jgr
PDBsum7jgr
PubMed32848132
UniProtQ9VSM9

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