› 7nc4

X-ray diffraction
1.6Å resolution

Crystal structure of human carbonic anhydrase VII (hCA VII) in complex with a 4-(4-aroylpiperazine-1-carbonyl)benzenesulfonamide derivative.

Released:
DOI: 10.2210/pdb7nc4/pdb
Model geometry
Fit model/data
PDB entry 7nc4 coloured by chain, front view.
PDB entry 7nc4 coloured by chain, side view.
PDB entry 7nc4 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Design, synthesis and biochemical evaluation of novel carbonic anhydrase inhibitors triggered by structural knowledge on hCA VII.
Mancuso F, Di Fiore A, De Luca L, Angeli A, De Simone G, Supuran CT, Gitto R
Bioorg Med Chem 44 116279 (2021)
PMID: 34216985

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-154962 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Carbonic anhydrase 7 Chain: A
Molecule details ›
Chain: A
Length: 274 amino acids
Theoretical weight: 30.93 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P43166 (Residues: 1-264; Coverage: 100%)
Gene name: CA7
Sequence domains: Eukaryotic-type carbonic anhydrase

Ligands and Environments

3 bound ligands:
Ligand ZN 1 x ZN
Ligand U7Z 1 x U7Z
Ligand GOL 2 x GOL
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P21212
Unit cell:
a: 66.12Å b: 89.37Å c: 44.05Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.196 0.196 0.214
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 review citation

In Silico Methods for the Discovery of Kv7.2/7.3 Channels Modulators: A Comprehensive Review.
Stagno et al. (2024)

1 mention without citation

Design, synthesis and biochemical evaluation of novel carbonic anhydrase inhibitors triggered by structural knowledge on hCA VII.
Mancuso et al. (2021)