› 8e5w

X-ray diffraction
2.15Å resolution

Crystal structure of dehydroalanine Hip1

Released:
DOI: 10.2210/pdb8e5w/pdb
PDB entry 8e5w coloured by chain, front view.
PDB entry 8e5w coloured by chain, side view.
PDB entry 8e5w coloured by chain, top view.
Source organism: Mycobacterium tuberculosis
Primary publication:
2.1 Å crystal structure of the Mycobacterium tuberculosis serine hydrolase, Hip1, in its anhydro-form (Anhydrohip1).
Brooks CL, Ostrov DA, Schumann NC, Kakkad S, Li D, Peña K, Williams BP, Goldfarb NE
Biochem Biophys Res Commun 630 57-63 (2022)
PMID: 36148729

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161578 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Serine protease Hip1 Chain: A
Molecule details ›
Chain: A
Length: 486 amino acids
Theoretical weight: 52.22 KDa
Source organism: Mycobacterium tuberculosis
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P9WHR3 (Residues: 43-520; Coverage: 98%)
Gene names: MTCY427.05c, Rv2224c, caeA, hip1
Sequence domains: alpha/beta hydrolase fold

Ligands and Environments

3 bound ligands:
Ligand PLM 1 x PLM
Ligand SO4 1 x SO4
Ligand PEG 2 x PEG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X6A
Spacegroup: P3121
Unit cell:
a: 104.891Å b: 104.891Å c: 127.802Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.162 0.16 0.19
Expression system: Escherichia coli BL21

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