› 4k0s

X-ray diffraction
1.8Å resolution

Structure of HCAIX mimic (HCAII with 5 mutations in active site) in complex with acetazolamide

Released:
DOI: 10.2210/pdb4k0s/pdb
PDB entry 4k0s coloured by chain, front view.
PDB entry 4k0s coloured by chain, side view.
PDB entry 4k0s coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Biswas S, McKenna R

Function and Biology Details

Reactions catalysed: 
H(2)CO(3) = CO(2) + H(2)O
Urea = cyanamide + H(2)O
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-133681 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Carbonic anhydrase 2 Chain: A
Molecule details ›
Chain: A
Length: 257 amino acids
Theoretical weight: 28.9 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P00918 (Residues: 4-260; Coverage: 99%)
Gene name: CA2
Sequence domains: Eukaryotic-type carbonic anhydrase
Structure domains: Alpha carbonic anhydrase

Ligands and Environments

2 bound ligands:
Ligand ZN 1 x ZN
Ligand AZM 1 x AZM
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RUH3R
Spacegroup: P21
Unit cell:
a: 42.124Å b: 41.463Å c: 72.669Å
α: 90° β: 103.89° γ: 90°
R-values:
R R work R free
0.17 0.167 0.213
Expression system: Escherichia coli BL21(DE3)

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