Structure of PDB 2fpu Chain B Binding Site BS03

Receptor Information
>2fpu Chain B (length=160) Species: 83334 (Escherichia coli O157:H7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QKYLFIDRDGTLISEPPSDFQVDRFDKLAFEPGVIPQLLKLQKAGYKLVM
ITNQDGLGTQSFPQADFDGPHNLMMQIFTSQGVQFDEVLICPHLPADECD
CRKPKVKLVERYLAMDRANSYVIGDRATDIQLAENMGINGLRYDRETLNW
PMIGEQLTRR
Ligand information
Ligand IDHSO
InChIInChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)/p+1/t5-/m0/s1
InChIKeyZQISRDCJNBUVMM-YFKPBYRVSA-O
SMILES
SoftwareSMILES
CACTVS 3.385N[C@H](CO)Cc1c[nH]c[nH+]1
CACTVS 3.385N[CH](CO)Cc1c[nH]c[nH+]1
OpenEye OEToolkits 1.7.6c1c([nH+]c[nH]1)CC(CO)N
ACDLabs 12.01NC(CO)Cc1[nH+]cnc1
OpenEye OEToolkits 1.7.6c1c([nH+]c[nH]1)C[C@@H](CO)N
FormulaC6 H12 N3 O
NameL-histidinol
ChEMBL
DrugBankDB03811
ZINC
PDB chain2fpu Chain B Residue 509 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2fpu Structural snapshots of Escherichia coli histidinol phosphate phosphatase along the reaction pathway.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		D12 E18 F23 Q24 N56 D58
Binding residue
(residue number reindexed from 1)		D9 E15 F20 Q21 N53 D55
Annotation score5
Enzymatic activity
Enzyme Commision number 3.1.3.15: histidinol-phosphatase.
4.2.1.19: imidazoleglycerol-phosphate dehydratase.
Gene Ontology
Molecular Function
GO:0004401 histidinol-phosphatase activity
GO:0004424 imidazoleglycerol-phosphate dehydratase activity
GO:0016791 phosphatase activity
Biological Process
GO:0000105 L-histidine biosynthetic process
GO:0005975 carbohydrate metabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2fpu, PDBe:2fpu, PDBj:2fpu
PDBsum2fpu
PubMed16966333
UniProtQ9S5G5|HIS7_ECO57 Histidine biosynthesis bifunctional protein HisB (Gene Name=hisB)

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