Structure of PDB 1utm Chain A Binding Site BS01

Receptor Information
>1utm Chain A (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 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 chain1utm Chain A Residue 246 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1utm Trypsin Specificity as Elucidated by Lie Calculations, X-Ray Structures, and Association Constant Measurements
Resolution1.5 Å
Binding residue
(original residue number in PDB)		D189 S190 S195
Binding residue
(residue number reindexed from 1)		D170 S171 S176
Annotation score1
Binding affinityMOAD: Ka=243M^-1
PDBbind-CN: -logKd/Ki=3.01,Kd=0.972mM
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
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:1utm, PDBe:1utm, PDBj:1utm
PDBsum1utm
PubMed15044735
UniProtP35031|TRY1_SALSA Trypsin-1

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