PDBsum entry 3s0n

Hydrolase/hydrolase inhibitor

PDB id: 3s0n

Contents

Protein chain

226 a.a.

Ligands

NAG ×2

0BB

Metals

_ZN

Waters ×171

PDB id:

3s0n

Name:

Hydrolase/hydrolase inhibitor

Title:

Crystal structure of human chymase with benzimidazolone inhibitor

Structure:

Chymase. Chain: a. Fragment: unp residues 22-247. Synonym: alpha-chymase, mast cell protease i. Engineered: yes. Mutation: yes

Source:

Homo sapiens. Human. Organism_taxid: 9606. Gene: cma1, cyh, cym. Expressed in: spodoptera frugiperda. Expression_system_taxid: 7108.

Resolution:

1.95Å R-factor: 0.193 R-free: 0.230

Authors:

K.C.Qian,N.A.Farrow,A.K.Padyana

Key ref:

H.Y.Lo et al. (2011). Benzimidazolone as potent chymase inhibitor: modulation of reactive metabolite formation in the hydrophobic (P1) region. Bioorg Med Chem Lett, 21, 4533-4539. PubMed id: 21733690

Date:

13-May-11 Release date: 20-Jul-11

Protein chain

P23946  (CMA1_HUMAN) -  Chymase from Homo sapiens

Seq: 247 a.a.

Struc: 226 a.a.*

* PDB and UniProt seqs differ at 3 residue positions (black crosses)

Enzyme reactions

• Enzyme class: E.C.3.4.21.39 - chymase.
• Reaction: Preferential cleavage: Phe-|-Xaa > Tyr-|-Xaa > Trp-|-Xaa > Leu-|-Xaa.

Bioorg Med Chem Lett 21:4533-4539 (2011)

PubMed id: 21733690

Benzimidazolone as potent chymase inhibitor: modulation of reactive metabolite formation in the hydrophobic (P1) region.

H.Y.Lo, P.A.Nemoto, J.M.Kim, M.H.Hao, K.C.Qian, N.A.Farrow, D.R.Albaugh, D.M.Fowler, R.D.Schneiderman, E.Michael August, L.Martin, M.Hill-Drzewi, S.S.Pullen, H.Takahashi, S.De Lombaert.

ABSTRACT

No abstract given.