› 5ohh

X-ray diffraction
1.42Å resolution

Crystal structure of human carbonic anhydrase isozyme XIII with 2-[(1S)-2,3-Dihydro-1H-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)thio]benzenesulfonamide

Released:
DOI: 10.2210/pdb5ohh/pdb
PDB entry 5ohh coloured by chain, front view.
PDB entry 5ohh coloured by chain, side view.
PDB entry 5ohh 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:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-185361 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Carbonic anhydrase 13 Chains: A, B
Molecule details ›
Chains: A, B
Length: 263 amino acids
Theoretical weight: 29.61 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q8N1Q1 (Residues: 1-262; Coverage: 100%)
Gene name: CA13
Sequence domains: Eukaryotic-type carbonic anhydrase
Structure domains: Alpha carbonic anhydrase

Ligands and Environments

9 bound ligands:
Ligand ZN 2 x ZN
Ligand CIT 4 x CIT
Ligand EDO 7 x EDO
Ligand AZI 1 x AZI
Ligand BCN 1 x BCN
Ligand PEG 2 x PEG
Ligand LCP 1 x LCP
Ligand ACT 2 x ACT
Ligand 5DU 1 x 5DU
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Spacegroup: P212121
Unit cell:
a: 56.501Å b: 57.419Å c: 159.909Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.159 0.156 0.185
Expression system: Escherichia coli BL21(DE3)

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