Structure of PDB 1ntp Chain A Binding Site BS01

Receptor Information
>1ntp 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]
IVGGYTCGANTVPYQVSLNSGYHFCGGSLIDSQWVVSAAHCYKSGIQVRL
GEDNINVVEGNEQFISASKSIVHPSYDSNTLNNDIMLIKLKSAASLDSRV
ASISLPTSCASAGTQCLISGWGNTKSSGTSYPDVLKCLKAPILSDSSCKS
AYPGQITSNMFCAGYLEGGKDSCQGDSGGPVVCSGKLQGIVSWGSGCAQK
NKPGVYTKVCNYVSWIKQTIASN
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 chain1ntp Chain A Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1ntp Use of the neutron diffraction--H/D exchange technique to determine the conformational dynamics of trypsin
Resolution1.8 Å
Binding residue
(original residue number in PDB)		H57 C191 S195
Binding residue
(residue number reindexed from 1)		H40 C173 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: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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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1ntp, PDBe:1ntp, PDBj:1ntp
PDBsum1ntp
PubMed6712567
UniProtP00760|TRY1_BOVIN Serine protease 1 (Gene Name=PRSS1)

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