› 1i41

X-ray diffraction
3.2Å resolution

CYSTATHIONINE GAMMA-SYNTHASE IN COMPLEX WITH THE INHIBITOR APPA

Released:
DOI: 10.2210/pdb1i41/pdb
PDB entry 1i41 coloured by chain, front view.
PDB entry 1i41 coloured by chain, side view.
PDB entry 1i41 coloured by chain, top view.
Source organism: Nicotiana tabacum
Primary publication:
Crystal structures of cystathionine gamma-synthase inhibitor complexes rationalize the increased affinity of a novel inhibitor.
Steegborn C, Laber B, Messerschmidt A, Huber R, Clausen T
J Mol Biol 311 789-801 (2001)
PMID: 11518531

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-195699 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cystathionine gamma-synthase Chains: A, B, C, D, E, F, G, H, I, J, K, L
Molecule details ›
Chains: A, B, C, D, E, F, G, H, I, J, K, L
Length: 445 amino acids
Theoretical weight: 48.07 KDa
Source organism: Nicotiana tabacum
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9ZPL5 (Residues: 1-445; Coverage: 100%)
Gene name: metB
Sequence domains: Cys/Met metabolism PLP-dependent enzyme
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand HEN 12 x HEN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU200
Spacegroup: C2
Unit cell:
a: 312.2Å b: 166Å c: 161.8Å
α: 90° β: 90.2° γ: 90°
R-values:
R R work R free
0.239 0.239 0.272
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

3 review citations

Implications of protein flexibility for drug discovery.
Teague SJ. (2003)
2 more

2 mentions without citation

Exploration of the active site of Escherichia coli cystathionine γ-synthase.
Jaworski et al. (2012)
1 more