5DPE

Thermolysin in complex with inhibitor.

Summary for 5DPE

• Entry DOI: 10.2210/pdb5dpe/pdb
• Related: 5DPF
• Descriptor: Thermolysin, N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-3-methyl-L-valine, ZINC ION, ... (7 entities in total)
• Functional Keywords: hydrolase, metalloprotease, hydrolase inhibitor complex
• Biological source: Bacillus thermoproteolyticus
• Cellular location: Secreted: P00800
• Total number of polymer chains: 1
• Total formula weight: 35646.35

Authors

Krimmer, S.G.,Heine, A.,Klebe, G. (deposition date: 2015-09-12, release date: 2015-10-28, Last modification date: 2024-01-10)

• Primary citation: Krimmer, S.G.,Klebe, G.; Thermodynamics of protein-ligand interactions as a reference for computational analysis: how to assess accuracy, reliability and relevance of experimental data.; J. Comput. Aided Mol. Des., 29:867-883, 2015; PubMed: 26376645; DOI: 10.1007/s10822-015-9867-y

Experimental method

X-RAY DIFFRACTION (1.34 Å)