› 5ipz

X-ray diffraction
2.1Å resolution

Crystal structure of human carbonic anhydrase isozyme IV with 5-(2-amino-1,3-thiazol-4-yl)-2-chlorobenzenesulfonamide

Released:
DOI: 10.2210/pdb5ipz/pdb
PDB entry 5ipz coloured by chain, front view.
PDB entry 5ipz coloured by chain, side view.
PDB entry 5ipz coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Intrinsic thermodynamics of high affinity inhibitor binding to recombinant human carbonic anhydrase IV.
Mickevičiūtė A, Timm DD, Gedgaudas M, Linkuvienė V, Chen Z, Waheed A, Michailovienė V, Zubrienė A, Smirnov A, Čapkauskaitė E, Baranauskienė L, Jachno J, Revuckienė J, Manakova E, Gražulis S, Matulienė J, Di Cera E, Sly WS, Matulis D
Eur Biophys J 47 271-290 (2018)
PMID: 28975383

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-149789 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Carbonic anhydrase 4 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 267 amino acids
Theoretical weight: 30.5 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P22748 (Residues: 19-284; Coverage: 91%)
Gene name: CA4
Sequence domains: Eukaryotic-type carbonic anhydrase
Structure domains: Alpha carbonic anhydrase

Ligands and Environments

2 bound ligands:
Ligand ZN 4 x ZN
Ligand 6CC 3 x 6CC
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Spacegroup: P21
Unit cell:
a: 48.694Å b: 256.408Å c: 48.551Å
α: 90° β: 117.34° γ: 90°
R-values:
R R work R free
0.233 0.225 0.306
Expression system: Escherichia coli BL21

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Citations

1 review citation

Thermodynamic, kinetic, and structural parameterization of human carbonic anhydrase interactions toward enhanced inhibitor design.
Linkuvienė et al. (2018)
1 other article

2 mentions without citation

Intrinsic thermodynamics of high affinity inhibitor binding to recombinant human carbonic anhydrase IV.
Mickevičiūtė et al. (2018)
1 more