PDBsum entry 5dyt

Hydrolase

PDB id: 5dyt

Contents

Protein chains

527 a.a.

Ligands

NAG-NAG-FUC ×3

NAG-NAG ×3

NAG-FUC

NAG ×8

5HB ×2

GOL ×5

EDO ×4

UNX ×2

UNX-UNX ×2

FUL

PEG

Waters ×232

PDB id:

5dyt

Name:

Hydrolase

Title:

Crystal structure of human butyrylcholinesterase in complex with n- ((1-benzylpiperidin-3-yl)methyl)-n-methylnaphthalene-2-sulfonamide

Structure:

Cholinesterase. Chain: a, b. Fragment: unp rsidues 28-557. Synonym: acylcholine acylhydrolase,butyrylcholine esterase,choline esterase ii,pseudocholinesterase. Engineered: yes

Source:

Homo sapiens. Human. Organism_taxid: 9606. Gene: bche, che1. Expressed in: drosophila melanogaster. Expression_system_taxid: 7227

Resolution:

2.55Å R-factor: 0.180 R-free: 0.232

Authors:

N.Coquelle,B.Brus,J.P.Colletier

Key ref:

U.Košak et al. (2016). Development of an in-vivo active reversible butyrylcholinesterase inhibitor. Sci Rep, 6, 39495. PubMed id: 28000737 DOI: 10.1038/srep39495

Date:

25-Sep-15 Release date: 05-Oct-16

Protein chains

P06276  (CHLE_HUMAN) -  Cholinesterase from Homo sapiens

Seq: 602 a.a.

Struc: 527 a.a.*

* PDB and UniProt seqs differ at 1 residue position (black cross)

Enzyme reactions

• Enzyme class: E.C.3.1.1.8 - cholinesterase.
• Reaction: an acylcholine + H2O = a carboxylate + choline + H⁺

Molecule diagrams generated from .mol files obtained from the KEGG ftp site

reference

DOI no: 10.1038/srep39495

Sci Rep 6:39495 (2016)

PubMed id: 28000737

Development of an in-vivo active reversible butyrylcholinesterase inhibitor.

U.Košak, B.Brus, D.Knez, R.Šink, S.Žakelj, J.Trontelj, A.Pišlar, J.Šlenc, M.Gobec, M.Živin, L.Tratnjek, M.Perše, K.Sałat, A.Podkowa, B.Filipek, F.Nachon, X.Brazzolotto, A.Więckowska, B.Malawska, J.Stojan, I.M.Raščan, J.Kos, N.Coquelle, J.P.Colletier, S.Gobec.

ABSTRACT

No abstract given.