ISDA: 4H57

Deposition Date 2012-09-18

Release Date 2012-10-03

Last Version Date 2023-09-20

Entry Detail

PDB ID:

4H57

Keywords:

HYDROLASE/HYDROLASE inhibitor

Title:

Thermolysin inhibition

Biological Source:

Source Organism(s):

Bacillus thermoproteolyticus (Taxon ID: 1427)

Method Details:

Experimental Method:

X-RAY DIFFRACTION

Resolution:

1.56 Å

R-Value Free:

0.16

R-Value Work:

0.14

R-Value Observed:

0.14

Space Group:

P 61 2 2

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Macromolecular Entities

Structures with similar UniProt ID

Protein Blast

Polymer Type:polypeptide(L)
Molecule:Thermolysin
Gene (Uniprot):npr
Chain IDs:A
Chain Length:316
Number of Molecules:1
Biological Source:Bacillus thermoproteolyticus

UniProt ID:P00800 Pfam ID:PF01447, PF02868 EC:3.4.24.27

Ligand Molecules

0PJ

DMS

GOL

Peptide-like Molecules

PRD_000654

Primary Citation

Dissecting the hydrophobic effect on the molecular level: the role of water, enthalpy, and entropy in ligand binding to thermolysin.

Biela, A, Nasief, N.N, Betz, M, Heine, A, Hangauer, D, Klebe, G.Show

Angew. Chem. Int. Ed. Engl. 52 1822 1828 (2013)

PMID: 23283700 DOI: 10.1002/anie.201208561

Primary Citation of related structures

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