› 7zm1

X-ray diffraction
2.15Å resolution

Crystal structure of HsaD from Mycobacterium tuberculosis in complex with Cyclophostin-like inhibitor CyC7b

Released:
DOI: 10.2210/pdb7zm1/pdb
PDB entry 7zm1 coloured by chain, front view.
PDB entry 7zm1 coloured by chain, side view.
PDB entry 7zm1 coloured by chain, top view.
Source organism: Mycobacterium tuberculosis H37Rv
Primary publication:
Direct capture, inhibition and crystal structure of HsaD (Rv3569c) from M. tuberculosis.
Barelier S, Avellan R, Gnawali GR, Fourquet P, Roig-Zamboni V, Poncin I, Point V, Bourne Y, Audebert S, Camoin L, Spilling CD, Canaan S, Cavalier JF, Sulzenbacher G
FEBS J (2022)
PMID: 36197115

Function and Biology Details

Reactions catalysed: 
(1E,2Z)-3-hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1(10),2-dien-4-oate + H(2)O = 3-((3aS,4S,7aS)-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl)propanoate + (2Z,4Z)-2-hydroxyhexa-2,4-dienoate
2,6-dioxo-6-phenylhexa-3-enoate + H(2)O = benzoate + 2-oxopent-4-enoate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161861 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase Chains: A, B
Molecule details ›
Chains: A, B
Length: 299 amino acids
Theoretical weight: 32.99 KDa
Source organism: Mycobacterium tuberculosis H37Rv
Expression system: Mycolicibacterium smegmatis MC2 155
UniProt:
  • Canonical: P9WNH5 (Residues: 1-291; Coverage: 100%)
Gene names: Rv3569c, bphD, hsaD
Sequence domains: alpha/beta hydrolase fold

Ligands and Environments

2 bound ligands:
Ligand IY8 2 x IY8
Ligand SO4 5 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SOLEIL BEAMLINE PROXIMA 2
Unit cell:
a: 76.865Å b: 78.386Å c: 92.043Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.183 0.181 0.212
Expression system: Mycolicibacterium smegmatis MC2 155

Quick links