Structure of PDB 5yht Chain A Binding Site BS04

Receptor Information

>5yht Chain A (length=255) Species: 83332 (Mycobacterium tuberculosis H37Rv)

DDLMLALALADRADELTRVRFGALDLRIDTKPDLTPVTDADRAVESDVRQ
TLGRDRPGDGVLGEEFGGSTTFTGRQWIVDPIDGTKNFVRGVPVWASLIA
LLEDGVPSVGVVSAPALQRRWWAARGRGAFASVDGARPHRLSVSSVAELH
SASLSFSSLSGWARPGLRERFIGLTDTVWRVRAYGDFLSYCLVAEGAVDI
AAEPQVSVWDLAALDIVVREAGGRLTSLDGVAGPHGGSAVATNGLLHDEV
LTRLN

Ligand information

• Ligand ID: PO4
• InChI: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
• InChIKey: NBIIXXVUZAFLBC-UHFFFAOYSA-K
• SMILES:
  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-]
• Formula: O4 P
• Name: PHOSPHATE ION
• DrugBank: DB14523
• PDB chain: 5yht Chain A Residue 304

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5yht Identification and structural characterization of a histidinol phosphate phosphatase fromMycobacterium tuberculosis
• Resolution: 2.87 Å
• Binding residue (original residue number in PDB): R183 R185
• Binding residue (residue number reindexed from 1): R180 R182
• Annotation score: 1

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

External links

• PDB: RCSB:5yht, PDBe:5yht, PDBj:5yht
• PDBsum: 5yht
• PubMed: 29752410
• UniProt: P95189|HISN_MYCTU Histidinol-phosphatase (Gene Name=hisN)