› 5wlu

X-ray diffraction
1.39Å resolution

Carbonic Anhydrase IX-mimic in complex with aryloxy-2-hydroxypropylammine sulfonamide

Released:
DOI: 10.2210/pdb5wlu/pdb
PDB entry 5wlu coloured by chain, front view.
PDB entry 5wlu coloured by chain, side view.
PDB entry 5wlu coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Lomelino CL, Andring JT, McKenna R

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: 257 amino acids
Theoretical weight: 28.84 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P00918 (Residues: 4-260; Coverage: 99%)
Gene name: CA2
Sequence domains: Eukaryotic-type carbonic anhydrase
Structure domains: Alpha carbonic anhydrase

Ligands and Environments

2 bound ligands:
Ligand ZN 1 x ZN
Ligand 42G 1 x 42G
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: CHESS BEAMLINE F1
Spacegroup: P21
Unit cell:
a: 42.142Å b: 41.501Å c: 72.257Å
α: 90° β: 104.02° γ: 90°
R-values:
R R work R free
0.248 0.248 0.27
Expression system: Escherichia coli

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