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Structure paper

TitleX-ray crystallography and computational docking for the detection and development of protein-ligand interactions.
Journal, issue, pagesCurr. Med. Chem., Vol. 20, Page 569-575, Year 2013
Publish dateNov 14, 2011 (structure data deposition date)
AuthorsKershaw, N.M. / Wright, G.S. / Sharma, R. / Antonyuk, S.V. / Strange, R.W. / Berry, N.G. / O'Neill, P.M. / Hasnain, S.S.
External linksCurr. Med. Chem. / PubMed:23278398
MethodsX-ray diffraction
Resolution1.22 - 1.24 Å
Structure data

PDB-4a7g:
Structure of human I113T SOD1 mutant complexed with 4-methylpiperazin- 1-yl)quinazoline in the p21 space group.
Method: X-RAY DIFFRACTION / Resolution: 1.24 Å

PDB-4a7q:
Structure of human I113T SOD1 mutant complexed with 4-(4-methyl-1,4- diazepan-1-yl)quinazoline in the p21 space group.
Method: X-RAY DIFFRACTION / Resolution: 1.22 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-12I:
4-(4-METHYLPIPERAZIN-1-YL)QUINAZOLINE

ChemComp-CU:
COPPER (II) ION

ChemComp-ZN:
Unknown entry

ChemComp-ACT:
ACETATE ION

ChemComp-HOH:
WATER

ChemComp-4MQ:
4-(4-METHYL-1,4-DIAZEPAN-1-YL)QUINAZOLINE

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

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