Structure of PDB 2a96 Chain A Binding Site BS01

Receptor Information
>2a96 Chain A (length=217) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QPFHSPEESVNSQFYLPPPPGNDDPAFRYDKEAYFKGYAIKGSPRWKQAA
EDADISVENIARIFSPVVGAKISPKDTPETWNMLQNLLKVGGYYATASAK
KYYMRTRPFVLFNHSTCRPEDENTLRKDGSYPSGHTAYSTLLALVLSQAR
PERAQELARRGWEFGQSRVICGAHWQSDVDAGRYVGAVEFARLQTIPAFQ
KSLAKVREELNDKNNLL
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain2a96 Chain A Residue 281 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2a96 Structure and Mutational Analysis of the PhoN Protein of Salmonella typhimurium Provide Insight into Mechanistic Details.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		K123 R130 S156 G157 H158 H197
Binding residue
(residue number reindexed from 1)		K100 R107 S133 G134 H135 H174
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H158 R191 H197 D201
Catalytic site (residue number reindexed from 1) H135 R168 H174 D178
Enzyme Commision number 3.1.3.2: acid phosphatase.
Gene Ontology
Molecular Function
GO:0003993 acid phosphatase activity
Cellular Component
GO:0030288 outer membrane-bounded periplasmic space

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Molecular Function
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Cellular Component
External links
PDB RCSB:2a96, PDBe:2a96, PDBj:2a96
PDBsum2a96
PubMed17263560
UniProtQ8KRU6

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