Structure of PDB 7jk4 Chain A Binding Site BS02
Receptor Information
>7jk4 Chain A (length=401) Species:
7227
(Drosophila melanogaster) [
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TPSQKMKKIRAGELSPSMQQRTDLPAKDSSKSELQLAREQLHVSVVPKSL
PCREREFENIYAFLEGKIQDQCGGCMYVSGVPGTGKTATVTGVIRTLQRM
AKQNELPAFEYLEINGMRLTEPRQAYVQIYKQLTGKTVSWEQAHALLEKR
FTTPAPRRVTTVLLVDELDILCNRRQDVVYNLLDWPTKSAAKLVVVTIAN
TMDLPERLLMGKVTSRLGLTRLTFQPYSHKQLQEIVTARLGGSETFKGEA
VQLVARKVAAVSGDARRALDICRRATEIADTAAVKCVTMLHVQQALAEMI
ASAKVQAIRNCSRMEQIFLQAIAAEVTRTGVEETTFMGVYQQVETIAAFM
GVTFPPPGRALRLCSKLGAERLIISEHSRNDLFQKILLNVSADDIHYALR
V
Ligand information
Ligand ID
ATP
InChI
InChI=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
InChIKey
ZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341
Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04
O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0
c1nc(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 3.341
Nc1ncnc2n(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
Formula
C10 H16 N5 O13 P3
Name
ADENOSINE-5'-TRIPHOSPHATE
ChEMBL
CHEMBL14249
DrugBank
DB00171
ZINC
ZINC000004261765
PDB chain
7jk4 Chain A Residue 1001 [
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Receptor-Ligand Complex Structure
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PDB
7jk4
Structural mechanism for replication origin binding and remodeling by a metazoan origin recognition complex and its co-loader Cdc6.
Resolution
3.4 Å
Binding residue
(original residue number in PDB)
V561 P569 G601 G603 K604 T605 A606 Y745 I753 R757 R784
Binding residue
(residue number reindexed from 1)
V43 P51 G83 G85 K86 T87 A88 Y227 I235 R239 R266
Annotation score
5
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0005524
ATP binding
GO:0016887
ATP hydrolysis activity
View graph for
Molecular Function
External links
PDB
RCSB:7jk4
,
PDBe:7jk4
,
PDBj:7jk4
PDBsum
7jk4
PubMed
32848132
UniProt
O16810
|ORC1_DROME Origin recognition complex subunit 1 (Gene Name=Orc1)
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