› 5ogo

X-ray diffraction
0.99Å resolution

Crystal structure of chimeric carbonic anhydrase I with 3-(Benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide

Released:
DOI: 10.2210/pdb5ogo/pdb
PDB entry 5ogo coloured by chain, front view.
PDB entry 5ogo coloured by chain, side view.
PDB entry 5ogo coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Smirnov A, Manakova E, Grazulis S

Function and Biology Details

Reactions catalysed: 
H(2)CO(3) = CO(2) + H(2)O
Urea = cyanamide + 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-133681 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Carbonic anhydrase 2 Chain: A
Molecule details ›
Chain: A
Length: 260 amino acids
Theoretical weight: 29.33 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P00918 (Residues: 1-260; Coverage: 100%)
Gene name: CA2
Sequence domains: Eukaryotic-type carbonic anhydrase
Structure domains: Alpha carbonic anhydrase

Ligands and Environments

6 bound ligands:
Ligand ZN 1 x ZN
Ligand WWO 2 x WWO
Ligand DMS 1 x DMS
Ligand BCN 3 x BCN
Ligand PEG 1 x PEG
Ligand EDO 2 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Spacegroup: P21
Unit cell:
a: 42.094Å b: 41.426Å c: 71.654Å
α: 90° β: 104.35° γ: 90°
R-values:
R R work R free
0.127 0.124 0.148
Expression system: Escherichia coli BL21(DE3)

Quick links