Het-PDB Navi2 (PDB: 5MNR)

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Ligands
Code	Name	Link
CA	Calcium ion	PoSSuM
DMS	Dimethyl sulfoxide	PoSSuM
JC2	(2~{S})-4-azanyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]butanoic acid	PoSSuM
MPD	(4s)-2-methyl-2,4-pentanediol	PoSSuM
ZN	Zinc ion	PoSSuM

Non-standard Residues
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Glycosylation
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Download interaction data: 5MNR

Code :

5MNR PDBj RCSB PDB PDBe

Header :

HYDROLASE

Title :

Thermolysin in complex with inhibitor JC256

Release Data :

2017-06-21

Compound :

mol_id	molecule	chains	synonym
1	Thermolysin	E	Thermostable neutral proteinase
	ec: 3.4.24.27

Source :

mol_id	organism_scientific
1	Bacillus thermoproteolyticus (taxid:1427)

Authors :

Cramer, J., Krimmer, S.G., Heine, A., Klebe, G.

Keywords :

Inhibitor, Phosphonamidate, Protease, hydrolase

Exp. method :

X-RAY DIFFRACTION ( 1.249 Å )

Citation :

Paying the Price of Desolvation in Solvent-Exposed Protein Pockets: Impact of Distal Solubilizing Groups on Affinity and Binding Thermodynamics in a Series of Thermolysin Inhibitors.

Cramer, J.,Krimmer, S.G.,Heine, A. et al.
(2017) J. Med. Chem. 60 : 5791 - 5799

PubMed: 28590130
DOI: 10.1021/acs.jmedchem.7b00490

PDB ID: 5MNR

Hetero Atom Contents

Structure summary

Reaction