Structure of PDB 5ujm Chain A Binding Site BS01

Receptor Information
>5ujm Chain A (length=337) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EARLRLHVSAVPESLPCREQEFQDIYNFVESKLLDHTGGCMYISGVPGTG
KTATVHEVIRCLQQAAQANDVPPFQYIEVNGMKLTEPHQVYVQILQKLTG
QKATANHAAELLAKQFCTTVLLVDELDILWTHKQDIMYNLFDWPTHKEAR
LVVLAIANTMDLPERTRMCFQPYTYSQLQQILRSRLKHLKIQLVARKVAA
LSGDARRCLDICRRATEICEFVTIAHSMEAVDEMFSSSYITAIKNSSVLE
QSFLRAILAEFRRSGLEEATFQQIYSQHVALCRMEGLPYPTMSETMAVCS
HLGSCRLLLVEPSRNDLLLRVRLNVSQDDVLYALKDE
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 chain5ujm 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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PDB5ujm Structure of the active form of human Origin Recognition Complex and its ATPase motor module.
Resolution18.0 Å
Binding residue
(original residue number in PDB)		P536 G539 K540 T541 A542 E621 Y681 I689
Binding residue
(residue number reindexed from 1)		P47 G50 K51 T52 A53 E125 Y173 I181
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:5ujm, PDBe:5ujm, PDBj:5ujm
PDBsum5ujm
PubMed28112645
UniProtQ13415|ORC1_HUMAN Origin recognition complex subunit 1 (Gene Name=ORC1)

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