› 8co3

X-ray diffraction
1.68Å resolution

Three dimensional structure of human carbonic anhydrase XII in complex with sulfonamide

Released:
DOI: 10.2210/pdb8co3/pdb
PDB entry 8co3 coloured by chain, front view.
PDB entry 8co3 coloured by chain, side view.
PDB entry 8co3 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Atropo/Tropo Flexibility: A Tool for Design and Synthesis of Self-Adaptable Inhibitors of Carbonic Anhydrases and Their Antiproliferative Effect.
Ivanova JN, Nocentini A, Ta Rs K, Leita Ns JN, Dvinskis E, Kazaks A, Domračeva I, Supuran CT, Žalubovskis R
J Med Chem 66 5703-5718 (2023)
PMID: 37022308

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

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-236480 (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: 29.86 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: O43570 (Residues: 30-291; Coverage: 79%)
Gene name: CA12
Sequence domains: Eukaryotic-type carbonic anhydrase

Ligands and Environments

2 bound ligands:
Ligand ZN 4 x ZN
Ligand V8O 4 x V8O
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.1
Spacegroup: P1
Unit cell:
a: 46.78Å b: 67.48Å c: 81Å
α: 81.47° β: 84.09° γ: 86.45°
R-values:
R R work R free
0.202 0.199 0.254
Expression system: Escherichia coli

Quick links

Citations

2 citation in other articles

"Cicada Out of the Shell" Deep Penetration and Blockage of the HSP90 Pathway by ROS-Responsive Supramolecular Gels to Augment Trimodal Synergistic Therapy.
Li et al. (2024)
1 more