Structure of PDB 5yht Chain B Binding Site BS01

Receptor Information
>5yht Chain B (length=246) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLMLALALADRADELTRVRFGALDLRIDTKPDLTPVTDADRAVESDVRQT
RDRPGDGVLEEFFTGRQWIVDPIDGTKNFVRGVPVWASLIALLEDGVPSV
GVVSAPALQRRWWAARGRGAFASVDGARPHRLSVSSVAELHSASLSFSSL
SGWARPGLRERFIGLTDTVWRVRAYGDFLSYCLVAEGAVDIAAEPQVSVW
DLAALDIVVREAGGRLTSLDGVAGPHGGSAVATNGLLHDEVLTRLN
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain5yht Chain B Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5yht Identification and structural characterization of a histidinol phosphate phosphatase fromMycobacterium tuberculosis
Resolution2.87 Å
Binding residue
(original residue number in PDB)		E67 D213
Binding residue
(residue number reindexed from 1)		E60 D201
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.15: histidinol-phosphatase.
Gene Ontology
Molecular Function
GO:0004401 histidinol-phosphatase activity
GO:0008934 inositol monophosphate 1-phosphatase activity
GO:0016787 hydrolase activity
GO:0016791 phosphatase activity
GO:0042578 phosphoric ester hydrolase activity
GO:0046872 metal ion binding
Biological Process
GO:0000105 L-histidine biosynthetic process
GO:0010125 mycothiol biosynthetic process
Cellular Component
GO:0005829 cytosol
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5yht, PDBe:5yht, PDBj:5yht
PDBsum5yht
PubMed29752410
UniProtP95189|HISN_MYCTU Histidinol-phosphatase (Gene Name=hisN)

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