Structure of PDB 3aau Chain A

Receptor sequence
>3aauA (length=223) Species: 9913 (Bos taurus) [Search protein sequence]
IVGGYTCGANTVPYQVSLNSGYHFCGGSLINSQWVVSAAHCYKSGIQVRL
GEDNINVVEGNEQFISASKSIVHPSYNSNTLNNDIMLIKLKSAASLNSRV
ASISLPTSCASAGTQCLISGWGNTKSSGTSYPDVLKCLKAPILSDSSCKS
AYPGQITSNMFCAGYLEGGKDSCQGDSGGPVVCSGKLQGIVSWGSGCAQK
NKPGVYTKVCNYVSWIKQTIASN
3D structure
PDB3aau Structural basis for the design of novel Schiff base metal chelate inhibitors of trypsin
ChainA
Resolution1.8 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) H40 D84 Q174 G175 D176 S177 G178
Catalytic site (residue number reindexed from 1) H40 D84 Q174 G175 D176 S177 G178
Enzyme Commision number 3.4.21.4: trypsin.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 GZC A C25 H40 C41 K43 D171 S172 S177 V191 S192 G194 G196 C25 H40 C41 K43 D171 S172 S177 V191 S192 G194 G196 PDBbind-CN: -logKd/Ki=5.05,Ki=9.0uM
BS02 CA A E52 N54 V57 E62 E52 N54 V57 E62
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

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Cellular Component
External links
PDB RCSB:3aau, PDBe:3aau, PDBj:3aau
PDBsum3aau
PubMed20202854
UniProtP00760|TRY1_BOVIN Serine protease 1 (Gene Name=PRSS1)

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