Het-PDB Navi2 (PDB: 5MNQ)

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Ligands
Code	Name	Link
CA	Calcium ion	PoSSuM
DMS	Dimethyl sulfoxide	PoSSuM
J3I	(2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(1-carbamimidoylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide	PoSSuM
SO4	Sulfate ion	PoSSuM

Non-standard Residues
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Glycosylation
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Download interaction data: 5MNQ

Code :

5MNQ PDBj RCSB PDB PDBe

Header :

HYDROLASE

Title :

Cationic trypsin in complex with a derivative of N-amidinopiperidine

Release Data :

2018-01-17

Compound :

mol_id	molecule	chains	synonym
1	Cationic trypsin	A	Beta-trypsin
	ec: 3.4.21.4

Source :

mol_id	organism_scientific	organism_common
1	Bos taurus (taxid:9913)	Bovine

Authors :

Schiebel, J., Ngo, K., Heine, A., Klebe, G.

Keywords :

hydrogen bonding, protonation, protein-ligand interaction, hydrolase

Exp. method :

X-RAY DIFFRACTION ( 1.337 Å )

Citation :

Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes.

Schiebel, J.,Gaspari, R.,Wulsdorf, T. et al.
(2018) Nat Commun 9 : 3559 - 3559

PDB ID: 5MNQ