› 5ogj

X-ray diffraction
1.06Å resolution

Crystal structure of human carbonic anhydrase isozyme XIII with 2-(Cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)thio]benzenesulfonamide

Released:
DOI: 10.2210/pdb5ogj/pdb
PDB entry 5ogj coloured by chain, front view.
PDB entry 5ogj coloured by chain, side view.
PDB entry 5ogj coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Manakova E, Smirnov A, 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:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-185360 (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

6 bound ligands:
Ligand ZN 2 x ZN
Ligand CIT 4 x CIT
Ligand PEG 1 x PEG
Ligand ACT 2 x ACT
Ligand EDO 5 x EDO
Ligand V90 2 x V90
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Spacegroup: P212121
Unit cell:
a: 56.445Å b: 57.244Å c: 159.782Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.134 0.132 0.155
Expression system: Escherichia coli BL21(DE3)

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