Structure of PDB 1trn Chain A Binding Site BS01

Receptor Information
>1trn Chain A (length=224) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IVGGYNCEENSVPYQVSLNSGYHFCGGSLINEQWVVSAGHCYKSRIQVRL
GEHNIEVLEGNEQFINAAKIIRHPQYDRKTLNNDIMLIKLSSRAVINARV
STISLPTAPPATGTKCLISGWGNTASSGADYPDELQCLDAPVLSQAKCEA
SYPGKITSNMFCVGFLEGGKDSCQGDSGGPVVCNGQLQGVVSWGDGCAQK
NKPGVYTKVYNYVKWIKNTIAANS
Ligand information
Ligand IDISP
InChIInChI=1S/C3H9O4P/c1-3(2)7-8(4,5)6/h3H,1-2H3,(H2,4,5,6)
InChIKeyQPPQHRDVPBTVEV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)OP(=O)(O)O
CACTVS 3.341CC(C)O[P](O)(O)=O
ACDLabs 10.04O=P(O)(O)OC(C)C
FormulaC3 H9 O4 P
NamePHOSPHORYLISOPROPANE
ChEMBLCHEMBL144888
DrugBankDB03976
ZINCZINC000001673625
PDB chain1trn Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1trn Crystal structure of human trypsin 1: unexpected phosphorylation of Tyr151.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		H57 C191 Q192 G193 S195
Binding residue
(residue number reindexed from 1)		H40 C173 Q174 G175 S177
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:0004252 serine-type endopeptidase activity
GO:0008236 serine-type peptidase activity
GO:0046872 metal ion binding
Biological Process
GO:0006508 proteolysis
GO:0007586 digestion
GO:0022617 extracellular matrix disassembly
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0062023 collagen-containing extracellular matrix
GO:0072562 blood microparticle

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1trn, PDBe:1trn, PDBj:1trn
PDBsum1trn
PubMed8683601
UniProtP07477|TRY1_HUMAN Serine protease 1 (Gene Name=PRSS1)

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