Structure of PDB 1uto Chain A Binding Site BS01

Receptor Information
>1uto 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 IDPEA
InChIInChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2/p+1
InChIKeyBHHGXPLMPWCGHP-UHFFFAOYSA-O
SMILES
SoftwareSMILES
CACTVS 3.341[NH3+]CCc1ccccc1
ACDLabs 10.04c1ccccc1CC[NH3+]
OpenEye OEToolkits 1.5.0c1ccc(cc1)CC[NH3+]
FormulaC8 H12 N
Name2-PHENYLETHYLAMINE
ChEMBL
DrugBank
ZINC
PDB chain1uto Chain A Residue 1246 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1uto Trypsin Specificity as Elucidated by Lie Calculations, X-Ray Structures, and Association Constant Measurements
Resolution1.15 Å
Binding residue
(original residue number in PDB)		S190 Q192 S195 S214 W215
Binding residue
(residue number reindexed from 1)		S172 Q174 S177 S192 W193
Annotation score1
Binding affinityMOAD: Kd=5.32mM
PDBbind-CN: -logKd/Ki=2.27,Kd=5.32mM
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:0004252 serine-type endopeptidase activity
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:1uto, PDBe:1uto, PDBj:1uto
PDBsum1uto
PubMed15044735
UniProtP00760|TRY1_BOVIN Serine protease 1 (Gene Name=PRSS1)

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