Structure of PDB 7jk4 Chain E Binding Site BS01

Receptor Information
>7jk4 Chain E (length=398) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEAICSSLEPLFPCREAAIETLGELIGDSSETYPSAIYLFGHSGTGKTAL
TRAFLKECGKRQNVRTAHLNAIECYTTKIMLEILLDSLAPDQGDALKVDN
MLDFVEQLRRQAATRVEDQGFLIAVDNAERLRDMDANVLPVLLRLQELTN
LNLCVILLSQLPFEKFYNKTGLSEIVCLHLAQYNKAETQRILGSDFQQVR
NQLLEQKKRLEICQEAVTEDFYNNYLNLFLSVFYKACRDVPELQLTARKC
LSTYLEPVLDGSRLWRHIAGPLRSALTQIYMRIESLELPYYAKFLLIAAF
LASHNAAKQDKRLFVKLGPKSFSIDRLLAIFYAILEEKVGLTCNLLSQIS
TLVHLNLLSFVSGEQNIMEGSARLQCTIGLEFVLQIGKVVGFNVRQYL
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 chain7jk4 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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PDB7jk4 Structural mechanism for replication origin binding and remodeling by a metazoan origin recognition complex and its co-loader Cdc6.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		P13 G44 G46 K47 T48 Q160 Y183 P245
Binding residue
(residue number reindexed from 1)		P13 G44 G46 K47 T48 Q160 Y183 P241
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003688 DNA replication origin binding
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
GO:0043021 ribonucleoprotein complex binding
Biological Process
GO:0006260 DNA replication
GO:0006261 DNA-templated DNA replication
GO:0006270 DNA replication initiation
GO:0007052 mitotic spindle organization
GO:0007076 mitotic chromosome condensation
Cellular Component
GO:0000808 origin recognition complex
GO:0005634 nucleus
GO:0005664 nuclear origin of replication recognition complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7jk4, PDBe:7jk4, PDBj:7jk4
PDBsum7jk4
PubMed32848132
UniProtQ24169|ORC5_DROME Origin recognition complex subunit 5 (Gene Name=Orc5)

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