› 1i48

X-ray diffraction
3.25Å resolution

CYSTATHIONINE GAMMA-SYNTHASE IN COMPLEX WITH THE INHIBITOR CTCPO

Released:
DOI: 10.2210/pdb1i48/pdb
PDB entry 1i48 coloured by chain, front view.
PDB entry 1i48 coloured by chain, side view.
PDB entry 1i48 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:
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

2 bound ligands:
Ligand PLP 12 x PLP
Ligand CCO 12 x CCO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU200
Spacegroup: C2
Unit cell:
a: 312.4Å b: 165.6Å c: 162.2Å
α: 90° β: 89.8° γ: 90°
R-values:
R R work R free
0.226 0.226 0.257
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

Discovery and characterization of small molecule inhibitors of cystathionine gamma-synthase with in planta activity.
Bloch et al. (2021)
1 more