› 5ll9

X-ray diffraction
1.45Å resolution

Crystal structure of human carbonic anhydrase isozyme XII with 4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulfonamide

Released:
DOI: 10.2210/pdb5ll9/pdb
Model geometry
Fit model/data
PDB entry 5ll9 coloured by chain, front view.
PDB entry 5ll9 coloured by chain, side view.
PDB entry 5ll9 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Combinatorial Design of Isoform-Selective N-Alkylated Benzimidazole-Based Inhibitors of Carbonic Anhydrases
Capkauskaite E, Linkuviene V, Smirnov A, Milinaviciute G, Timm D, Kasiliauskaite A, Manakova E, Grazulis S, Matulis D
Chemistryselect (2017)

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

4 bound ligands:
Ligand ZN 4 x ZN
Ligand 6YQ 4 x 6YQ
Ligand EDO 11 x EDO
Ligand SO4 3 x SO4
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Spacegroup: P21
Unit cell:
a: 77.298Å b: 73.887Å c: 91.285Å
α: 90° β: 108.76° γ: 90°
R-values:
R R work R free
0.174 0.171 0.204
Expression system: Escherichia coli BL21(DE3)

Quick links