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Structure paper

TitleA Model Binding Site for Testing Scoring Functions in Molecular Docking
Journal, issue, pagesJ. Mol. Biol., Vol. 322, Page 339-355, Year 2002
Publish dateApr 16, 2002 (structure data deposition date)
AuthorsWei, B.Q. / Baase, W.A. / Weaver, L.H. / Matthews, B.W. / Shoichet, B.K.
External linksJ. Mol. Biol. / PubMed:12217695
MethodsX-ray diffraction
Resolution1.85 - 2 Å
Structure data

PDB-1lgu:
T4 Lysozyme Mutant L99A/M102Q
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-1lgw:
T4 Lysozyme Mutant L99A/M102Q Bound by 2-fluoroaniline
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-1lgx:
T4 Lysozyme Mutant L99A/M102Q Bound by 3,5-difluoroaniline
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-1li2:
T4 Lysozyme Mutant L99A/M102Q Bound by Phenol
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-1li3:
T4 lysozyme mutant L99A/M102Q bound by 3-chlorophenol
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-1li6:
T4 lysozyme mutant L99A/M102Q bound by 5-methylpyrrole
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-CL:
Unknown entry

ChemComp-BME:
BETA-MERCAPTOETHANOL

ChemComp-HOH:
WATER

ChemComp-1AN:
2-FLUOROANILINE

ChemComp-5AN:
3,5-DIFLUOROANILINE

ChemComp-IPH:
PHENOL

ChemComp-3CH:
3-CHLOROPHENOL

ChemComp-5MP:
5-METHYLPYRROLE

Source
  • enterobacteria phage t4 (virus)
KeywordsHYDROLASE / Glycosidase / Bacteriolytic enzyme

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