› 5msa

X-ray diffraction
1.2Å resolution

Crystal structure of human carbonic anhydrase isozyme XII with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide

Released:
DOI: 10.2210/pdb5msa/pdb
PDB entry 5msa coloured by chain, front view.
PDB entry 5msa coloured by chain, side view.
PDB entry 5msa coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Smirnov A, Manakova E, Grazulis S

Function and Biology Details

Reaction catalysed: 
H(2)CO(3) = CO(2) + H(2)O
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-129005 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Carbonic anhydrase 12 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 263 amino acids
Theoretical weight: 29.92 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O43570 (Residues: 30-291; Coverage: 79%)
Gene name: CA12
Sequence domains: Eukaryotic-type carbonic anhydrase
Structure domains: Alpha carbonic anhydrase

Ligands and Environments

5 bound ligands:
Ligand ZN 4 x ZN
Ligand 3TV 4 x 3TV
Ligand EDO 12 x EDO
Ligand PEG 4 x PEG
Ligand CIT 3 x CIT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Spacegroup: P21
Unit cell:
a: 77.17Å b: 74.157Å c: 91.559Å
α: 90° β: 108.85° γ: 90°
R-values:
R R work R free
0.144 0.141 0.178
Expression system: Escherichia coli BL21(DE3)

Quick links