Structure of PDB 7qba Chain C Binding Site BS01

Receptor Information
>7qba Chain C (length=298) Species: 316 (Stutzerimonas stutzeri) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NAVEIQGVSQRYGSMTVLHDLNLNLGEGEVLGLFGHNGAGKTTSMKLILG
LLSPSEGQVKVLGRAPNDPQVRRQLGYLPENVTFYPQLSGRETLRHFARL
KGAALTQVDELLEQVGLAHAADRRVKTYSKGMRQRLGLAQALLGEPRLLL
LDQPTVGLDPIATQDLYLLIDRLRQRGTSIILCSHVLPGVEAHINRAAIL
AKGCLQAVGSLSQLRAEAGLPVRIRASGISERDSWLQRWTDAGHSARGLS
ESSIEVVAVNGHKLVLLRQLLGEGEPEDIEIHQPSLEDLYRYYMERAG
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 chain7qba Chain B Residue 402 [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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PDB7qba Molecular interplay of an assembly machinery for nitrous oxide reductase.
Resolution3.78 Å
Binding residue
(original residue number in PDB)		R124 T128 Y129 S130 G132
Binding residue
(residue number reindexed from 1)		R123 T127 Y128 S129 G131
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016787 hydrolase activity
GO:0016887 ATP hydrolysis activity
Cellular Component
GO:0005886 plasma membrane

View graph for
Molecular Function
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Cellular Component
External links
PDB RCSB:7qba, PDBe:7qba, PDBj:7qba
PDBsum7qba
PubMed35896743
UniProtP19844|NOSF_STUST Probable ABC transporter ATP-binding protein NosF (Gene Name=nosF)

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