Structure of PDB 1utl Chain M Binding Site BS01

Receptor Information
>1utl Chain M (length=222) Species: 8030 (Salmo salar) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IVGGYECKPYSQPHQVSLNSGYHFCGGSLVNENWVVSAAHCYKSRVEVRL
GEHNIKVTEGSEQFISSSRVIRHPNYSSYNIDNDIMLIKLSKPATLNTYV
QPVALPTSCAPAGTMCTVSGWGNTMSSTADSNKLQCLNIPILSYSDCNNS
YPGMITNAMFCAGYLEGGKDSCQGDSGGPVVCNGELQGVVSWGYGCAEPG
NPGVYAKVCIFNDWLTSTMASY
Ligand information
Ligand IDPRA
InChIInChI=1S/C9H13N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,10H2
InChIKeyLYUQWQRTDLVQGA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01C(CCc1ccccc1)N
OpenEye OEToolkits 2.0.7c1ccc(cc1)CCCN
CACTVS 3.385NCCCc1ccccc1
FormulaC9 H13 N
Name3-PHENYLPROPYLAMINE
ChEMBLCHEMBL276864
DrugBankDB04410
ZINCZINC000001561633
PDB chain1utl Chain M Residue 246 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1utl Trypsin Specificity as Elucidated by Lie Calculations, X-Ray Structures, and Association Constant Measurements
Resolution1.7 Å
Binding residue
(original residue number in PDB)		S190 S214 W215 G216
Binding residue
(residue number reindexed from 1)		S171 S191 W192 G193
Annotation score1
Binding affinityMOAD: Ka=293M^-1
PDBbind-CN: -logKd/Ki=2.47,Kd=3.41mM
Enzymatic activity
Catalytic site (original residue number in PDB) D102 G193 S195 G196
Catalytic site (residue number reindexed from 1) D84 G174 S176 G177
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:1utl, PDBe:1utl, PDBj:1utl
PDBsum1utl
PubMed15044735
UniProtP35031|TRY1_SALSA Trypsin-1

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