Structure of PDB 1p0z Chain I Binding Site BS02

Receptor Information
>1p0z Chain I (length=131) Species: 573 (Klebsiella pneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EERLHYQVGQRALIQAMQISAMPELVEAVQKRDLARIKALIDPMRSFSDA
TYITVGDASGQRLYHVNPDEIGKSMEGGDSDEALINAKSYVSVRKGSLGS
SLRGKSPIQDATGKVIGIVSVGYTIEQLEHH
Ligand information
Ligand IDMO7
InChIInChI=1S/7Mo.24O/q;;;;;;;;;;;;;;;;;;;;;;;;;6*-1
InChIKeyCFQDGBTUZUJXQE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6[O-][Mo]123(=O)O[Mo]45(=O)(O16[Mo]7(=O)(O2)(O[Mo]89(=O)(O7[Mo]612(O3)O4[Mo]3(=O)(O18[Mo](=O)(O3)(O9)(O2)[O-])(O5)[O-])[O-])[O-])[O-]
CACTVS 3.370[O-][Mo]123(=O)|O4[Mo]|5678O[Mo]9([O-])(=O)(O1)O[Mo]%10([O-])(=O)(O|5[Mo]%11([O-])(=O)(O[Mo]%12([O-])(=O)(O6)O[Mo]4([O-])(=O)(O2)[O]7%11%12)O%10)[O]389
FormulaMo7 O24
Namebis(mu4-oxo)-bis(mu3-oxo)-octakis(mu2-oxo)-dodecaoxo-heptamolybdenum (VI);
HEPTAMOLYBDATE [Mo(VI)7O24]6-
ChEMBL
DrugBank
ZINC
PDB chain1p0z Chain I Residue 1662 [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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PDB1p0z The structure of the periplasmic ligand-binding domain of the sensor kinase CitA reveals the first extracellular PAS domain.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		R7 H9 Y10 Q11 V12 H134 H135
Binding residue
(residue number reindexed from 1)		R3 H5 Y6 Q7 V8 H130 H131
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.13.3: histidine kinase.
External links
PDB RCSB:1p0z, PDBe:1p0z, PDBj:1p0z
PDBsum1p0z
PubMed12867417
UniProtP52687|CITA_KLEPN Sensor histidine kinase CitA (Gene Name=citA)

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