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Structure paper

TitleTesting a Flexible-receptor Docking Algorithm in a Model Binding Site
Journal, issue, pagesJ. Mol. Biol., Vol. 337, Page 1161-1182, Year 2004
Publish dateMar 25, 2003 (structure data deposition date)
AuthorsWei, B.Q. / Weaver, L.H. / Ferrari, A.M. / Matthews, B.W. / Shoichet, B.K.
External linksJ. Mol. Biol. / PubMed:15046985
MethodsX-ray diffraction
Resolution1.9 - 2.1 Å
Structure data

PDB-1ov5:
T4 Lysozyme Cavity Mutant L99a/M102Q Bound With 2-Allylphenol
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-1ov7:
T4 Lysozyme Cavity Mutant L99A/M102Q Bound with 2-Allyl-6-Methyl-Phenol
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-1ovh:
T4 Lysozyme Cavity Mutant L99A/M102Q Bound With 2-Chloro-6-Methyl-Aniline
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-1ovj:
T4 Lysozyme Cavity Mutant L99A/M102Q Bound with 3-Fluoro-2-Methyl_Aniline
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-1ovk:
T4 Lysozyme Cavity Mutant L99A/M102Q Bound with N-Allyl-Aniline
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-1owy:
T4 Lysozyme Cavity Mutant L99A/M102Q Bound With 2-Propyl-Aniline
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-1owz:
T4 Lysozyme Cavity Mutant L99A/M102Q Bound With 4-FluoroPhenEthyl Alcohol
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

Chemicals

ChemComp-CL:
Unknown entry

ChemComp-2LP:
2-ALLYLPHENOL

ChemComp-BME:
BETA-MERCAPTOETHANOL

ChemComp-HOH:
WATER

ChemComp-LYL:
2-ALLYL-6-METHYL-PHENOL

ChemComp-2CM:
2-CHLORO-6-METHYL-ANILINE

ChemComp-FLM:
3-FLUORO-2-METHYL-ANILINE

ChemComp-NYL:
N-ALLYL-ANILINE

ChemComp-PRY:
2-PROPYL-ANILINE

ChemComp-4FA:
4-FLUOROPHENETHYL ALCOHOL

Source
  • enterobacteria phage t4 (virus)
KeywordsHYDROLASE / GLYCOSIDASE / BACTERIOLYTIC ENZYME

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