Structure of PDB 1p0z Chain J Binding Site BS01

Receptor Information
>1p0z Chain J (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 IDFLC
InChIInChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3
InChIKeyKRKNYBCHXYNGOX-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
OpenEye OEToolkits 1.5.0C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O
ACDLabs 10.04O=C([O-])CC(O)(C([O-])=O)CC(=O)[O-]
FormulaC6 H5 O7
NameCITRATE ANION
ChEMBL
DrugBank
ZINC
PDB chain1p0z Chain J Residue 1668 [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)		Y56 T58 R66 H69 M79 G100 S101 L102 R107 K109 S124
Binding residue
(residue number reindexed from 1)		Y52 T54 R62 H65 M75 G96 S97 L98 R103 K105 S120
Annotation score3
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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