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Structure paper

TitleStructural Discovery of Small Molecule Binding Sites in Cu-Zn Human Superoxide Dismutase Familial Amyotrophic Lateral Sclerosis Mutants Provides Insights for Lead Optimization.
Journal, issue, pagesJ. Med. Chem., Vol. 53, Page 1402-, Year 2010
Publish dateNov 20, 2009 (structure data deposition date)
AuthorsAntonyuk, S.V. / Strange, R.W. / Hasnain, S.S.
External linksJ. Med. Chem. / PubMed:20067275
MethodsX-ray diffraction
Resolution1 - 1.72 Å
Structure data

PDB-2wyt:
1.0 A resolution structure of L38V SOD1 mutant
Method: X-RAY DIFFRACTION / Resolution: 1 Å

PDB-2wyz:
L38V SOD1 mutant complexed with UMP
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-2wz0:
L38V SOD1 mutant complexed with aniline.
Method: X-RAY DIFFRACTION / Resolution: 1.72 Å

PDB-2wz5:
L38V SOD1 mutant complexed with L-methionine.
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

PDB-2wz6:
G93A SOD1 mutant complexed with Quinazoline.
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

Chemicals

ChemComp-CU:
COPPER (II) ION

ChemComp-ZN:
Unknown entry

ChemComp-SO4:
SULFATE ION

ChemComp-ACT:
ACETATE ION

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-U5P:
URIDINE-5'-MONOPHOSPHATE

ChemComp-ZZT:
2-METHOXY-5-METHYLANILINE

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-DSN:
D-SERINE

ChemComp-MET:
METHIONINE

ChemComp-ZO0:
4-(4-METHYL-1,4-DIAZEPAN-1-YL)-2-(TRIFLUOROMETHYL)QUINAZOLINE

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / DISEASE MUTATION / AMYOTROPHIC LATERAL SCLEROSIS / ANTIOXIDANT / NEURODEGENERATION / METAL-BINDING

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