› 1ttm

X-ray diffraction
1.95Å resolution

Human carbonic anhydrase II complexed with 667-coumate

Released:
DOI: 10.2210/pdb1ttm/pdb
PDB entry 1ttm coloured by chain, front view.
PDB entry 1ttm coloured by chain, side view.
PDB entry 1ttm coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Crystal structure of human carbonic anhydrase II at 1.95 A resolution in complex with 667-coumate, a novel anti-cancer agent.
Lloyd MD, Pederick RL, Natesh R, Woo LW, Purohit A, Reed MJ, Acharya KR, Potter BV
Biochem J 385 715-20 (2005)
PMID: 15453828

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 domain:

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: 259 amino acids
Theoretical weight: 29.16 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P00918 (Residues: 2-260; Coverage: 100%)
Gene name: CA2
Sequence domains: Eukaryotic-type carbonic anhydrase
Structure domains: Alpha carbonic anhydrase

Ligands and Environments

2 bound ligands:
Ligand ZN 2 x ZN
Ligand 667 1 x 667
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SRS BEAMLINE PX9.6
Spacegroup: P212121
Unit cell:
a: 42.525Å b: 72.522Å c: 75.379Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.21 0.18 0.21
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

6 review citations

A review of coumarin derivatives in pharmacotherapy of breast cancer.
Musa et al. (2008)
5 more

5 mentions without citation

Carbonic anhydrase as a model for biophysical and physical-organic studies of proteins and protein-ligand binding.
Krishnamurthy et al. (2008)
4 more