PDBsum entry 3ru4

Hydrolase/hydrolase inhibitor

PDB id: 3ru4

Contents

Protein chains

223 a.a.

61 a.a.

11 a.a.

131 a.a.

96 a.a.

Ligands

GOL ×6

SO4 ×9

EDO ×6

MRD ×2

Metals

_CA

Waters ×694

PDB id:

3ru4

Name:

Hydrolase/hydrolase inhibitor

Title:

Crystal structure of the bowman-birk serine protease inhibitor btci in complex with trypsin and chymotrypsin

Structure:

Cationic trypsin. Chain: t. Synonym: beta-trypsin, alpha-trypsin chain 1, alpha-trypsin chain 2. Bowman-birk type seed trypsin and chymotrypsin inhibitor. Chain: b. Synonym: btci. Chymotrypsinogen a. Chain: c. Synonym: chymotrypsin a chain a.

Source:

Bos taurus. Bovine,cow,domestic cattle,domestic cow. Organism_taxid: 9913. Vigna unguiculata. Cowpea. Organism_taxid: 3917. Organism_taxid: 9913

Resolution:

1.68Å R-factor: 0.159 R-free: 0.192

Authors:

G.F.Esteves,C.R.Santos,M.M.Ventura,J.A.R.G.Barbosa,S.M.Freitas

Key ref:

G.F.Esteves et al. Crystal structure of the bowman-Birk serine protease inhibitor btci in complex with trypsin and chymotryps. To be published, .

Date:

04-May-11 Release date: 29-Aug-12

Protein chain

P00760  (TRY1_BOVIN) -  Serine protease 1 from Bos taurus

Seq: 246 a.a.

Struc: 223 a.a.

Protein chain

P17734  (IBB_VIGUN) -  Bowman-Birk type seed trypsin and chymotrypsin inhibitor from Vigna unguiculata

Seq: 83 a.a.

Struc: 61 a.a.*

Protein chain

P00766  (CTRA_BOVIN) -  Chymotrypsinogen A from Bos taurus

Seq: 245 a.a.

Struc: 11 a.a.

Protein chain

P00766  (CTRA_BOVIN) -  Chymotrypsinogen A from Bos taurus

Seq: 245 a.a.

Struc: 131 a.a.

Protein chain

P00766  (CTRA_BOVIN) -  Chymotrypsinogen A from Bos taurus

Seq: 245 a.a.

Struc: 96 a.a.

* PDB and UniProt seqs differ at 9 residue positions (black crosses)

Enzyme reactions

• Enzyme class 2: Chains C, D, E: E.C.3.4.21.1 - chymotrypsin.
• Reaction: Preferential cleavage: Tyr-|-Xaa, Trp-|-Xaa, Phe-|-Xaa, Leu-|-Xaa.
• Enzyme class 3: Chain T: E.C.3.4.21.4 - trypsin.
• Reaction: Preferential cleavage: Arg-|-Xaa, Lys-|-Xaa.

Note, where more than one E.C. class is given (as above), each may correspond to a different protein domain or, in the case of polyprotein precursors, to a different mature protein.