Structure of PDB 7jpr Chain A Binding Site BS01

Receptor Information
>7jpr Chain A (length=352) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVLEEARLRLHVSAVPESLPCREQEFQDIYNFVESKLLDHTGGCMYISGV
PGTGKTATVHEVIRCLQQAAQANDVPPFQYIEVNGMKLTEPHQVYVQILQ
KLTGQKATANHAAELLAKQFTTVLLVDELDLLWTHKQDIMYNLFDWPTHK
EARLVVLAIANTMDLPERIMLTRMCFQPYTYSQLQQILRSRLKHLKAFED
DAIQLVARKVAALSGDARRCLDICRRATEICEFSQGLVTIAHSMEAVDEM
FSSSYITAIKNSSVLEQSFLRAILAEFRRSGLEEATFQQIYSQHVALCRM
EGLPYPTMSETMAVCSHLGSCRLLLVEPSRNDLLLRVRLNVSQDDVLYAL
KD
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 chain7jpr Chain A 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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PDB7jpr The dynamic nature of the human Origin Recognition Complex revealed through five cryoEM structures.
Resolution4.0 Å
Binding residue
(original residue number in PDB)		V500 L504 P536 G539 K540 T541 Y681 I689 R693 A719 R720
Binding residue
(residue number reindexed from 1)		V15 L19 P51 G54 K55 T56 Y179 I187 R191 A217 R218
Annotation score5
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:7jpr, PDBe:7jpr, PDBj:7jpr
PDBsum7jpr
PubMed32808929
UniProtQ13415|ORC1_HUMAN Origin recognition complex subunit 1 (Gene Name=ORC1)

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