› 3w6h

X-ray diffraction
2.96Å resolution

Crystal structure of 19F probe-labeled hCAI in complex with acetazolamide

Released:
DOI: 10.2210/pdb3w6h/pdb
PDB entry 3w6h coloured by chain, front view.
PDB entry 3w6h coloured by chain, side view.
PDB entry 3w6h coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Takaoka Y, Kioi Y, Morito A, Otani J, Arita K, Ashihara E, Ariyoshi M, Tochio H, Shirakawa M, Hamachi I

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)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Carbonic anhydrase 1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 260 amino acids
Theoretical weight: 28.77 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P00915 (Residues: 2-261; Coverage: 100%)
Gene name: CA1
Sequence domains: Eukaryotic-type carbonic anhydrase
Structure domains: Alpha carbonic anhydrase

Ligands and Environments

3 bound ligands:
Ligand FLB 2 x FLB
Ligand ZN 2 x ZN
Ligand AZM 2 x AZM
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SPRING-8 BEAMLINE BL38B1
Spacegroup: P212121
Unit cell:
a: 62.039Å b: 65.28Å c: 120.485Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.228 0.222 0.283
Expression system: Escherichia coli

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