Structure of PDB 1mbq Chain A Binding Site BS02

Receptor Information

>1mbq Chain A (length=220) Species: 8018 (Oncorhynchus keta)

IVGGYECKAYSQPHQVSLNSGYHFCGGSLVNENWVVSAAHCYKSRVEVRL
GEHNIKVTEGSEQFISSSRVIRHPNYSSYNIDNDIMLIKLSKSATLNTYV
QPVALPSSCAPAGTMCTVSGWGNTMSSTADKNKLQCLNIPILSYSDCNNS
YPGMITNAMFCAGYLEGGKDSCQGDSGGPVVCNGELQGVVSWGYGCAEPG
NPGVYAKVCIFNDWLTSTMA

Ligand information

• Ligand ID: BEN
• InChI: InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
• InChIKey: PXXJHWLDUBFPOL-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: [H]/N=C(\c1ccccc1)/N
  CACTVS 3.341: NC(=N)c1ccccc1
  ACDLabs 10.04: [N@H]=C(N)c1ccccc1
  OpenEye OEToolkits 1.5.0: [H]N=C(c1ccccc1)N
• Formula: C7 H8 N2
• Name: BENZAMIDINE
• ChEMBL: CHEMBL20936
• ZINC: ZINC000000036634
• PDB chain: 1mbq Chain A Residue 1222

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1mbq Crystal Structure and Nucleotide Sequence of an Anionic Trypsin from Chum Salmon (Oncorhynchus keta) in Comparison with Atlantic Salmon (Salmo salar) and Bovine Trypsin
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): D189 S190 C191 S195 V213 W215 G219
• Binding residue (residue number reindexed from 1): D170 S171 C172 S176 V190 W192 G195
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H57 D102 Q192 G193 D194 S195 G196
• Catalytic site (residue number reindexed from 1): H40 D84 Q173 G174 D175 S176 G177
• Enzyme Commision number: 3.4.21.4: trypsin.

Gene Ontology

Molecular Function

• GO:0004252 serine-type endopeptidase activity
• GO:0008236 serine-type peptidase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006508 proteolysis

Cellular Component

• GO:0005576 extracellular region
• GO:0005615 extracellular space

External links

• PDB: RCSB:1mbq, PDBe:1mbq, PDBj:1mbq
• PDBsum: 1mbq
• PubMed: 12445776
• UniProt: Q8AV11