› 5n1s

X-ray diffraction
1.3Å resolution

Crystal structure of human carbonic anhydrase II in complex with the inhibitor 4-(1H-Indol-2-yl)-benzenesulfonamide

Released:
DOI: 10.2210/pdb5n1s/pdb
PDB entry 5n1s coloured by chain, front view.
PDB entry 5n1s coloured by chain, side view.
PDB entry 5n1s coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Sulfonamide carbonic anhydrase inhibitors: Zinc coordination and tail effects influence inhibitory efficacy and selectivity for different isoforms
Ferraroni M, Cornelio B, Sapi J, Supuran CT, Scozzafava A
Inorganica Chim Acta 470 128-132 (2018)

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: 29.29 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
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

3 bound ligands:
Ligand ZN 1 x ZN
Ligand GOL 1 x GOL
Ligand 8GE 1 x 8GE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE BM30A
Spacegroup: P21
Unit cell:
a: 42.308Å b: 41.379Å c: 71.963Å
α: 90° β: 104.35° γ: 90°
R-values:
R R work R free
0.156 0.155 0.18
Expression system: Escherichia coli BL21

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