Structure of PDB 1jir Chain A Binding Site BS03

Receptor Information
>1jir Chain A (length=223) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IVGGYTCGANTVPYQVSLNSGYHFCGGSLINSQWVVSAAHCYKSGIQVRL
GEDNINVVEGNEQFISASKSIVHPSYNSNTLNNDIMLIKLKSAASLNSRV
ASISLPTSCASAGTQCLISGWGNTKSSGTSYPDVLKCLKAPILSDSSCKS
AYPGQITSNMFCAGYLEGGKDSCQGDSGGPVVCSGKLQGIVSWGSGCAQK
NKPGVYTKVCNYVSWIKQTIASN
Ligand information
Ligand IDAML
InChIInChI=1S/C5H13N/c1-2-3-4-5-6/h2-6H2,1H3
InChIKeyDPBLXKKOBLCELK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04NCCCCC
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCCN
FormulaC5 H13 N
NameAMYLAMINE
ChEMBL
DrugBankDB02045
ZINCZINC000001586308
PDB chain1jir Chain A Residue 327 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB1jir Crystal Structure of beta-Trypsin Complex with Amylamine in Cyclohexane
Resolution2.0 Å
Binding residue
(original residue number in PDB)		A129 I162 D165 F181
Binding residue
(residue number reindexed from 1)		A110 I142 D145 F161
Annotation score1
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 Q174 G175 D176 S177 G178
Enzyme Commision number 3.4.21.4: trypsin.
Gene Ontology
Molecular Function
GO:0004175 endopeptidase activity
GO:0004252 serine-type endopeptidase activity
GO:0005515 protein binding
GO:0008236 serine-type peptidase activity
GO:0046872 metal ion binding
GO:0097655 serpin family protein binding
Biological Process
GO:0006508 proteolysis
GO:0007586 digestion
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0097180 serine protease inhibitor complex

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1jir, PDBe:1jir, PDBj:1jir
PDBsum1jir
PubMed
UniProtP00760|TRY1_BOVIN Serine protease 1 (Gene Name=PRSS1)

[Back to BioLiP]