Structure of PDB 6t9u Chain A Binding Site BS02
Receptor Information
>6t9u Chain A (length=223) Species:
9913
(Bos taurus) [
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IVGGYTCGANTVPYQVSLNSGYHFCGGSLINSQWVVSAAHCYKSGIQVRL
GEDNINVVEGNEQFISASKSIVHPSYNSNTLNNDIMLIKLKSAASLNSRV
ASISLPTSCASAGTQCLISGWGNTKSSGTSYPDVLKCLKAPILSDSSCKS
AYPGQITSNMFCAGYLEGGKDSCQGDSGGPVVCSGKLQGIVSWGSGCAQK
NKPGVYTKVCNYVSWIKQTIASN
Ligand information
Ligand ID
TFA
InChI
InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)
InChIKey
DTQVDTLACAAQTR-UHFFFAOYSA-N
SMILES
Software
SMILES
ACDLabs 12.01
FC(F)(F)C(=O)O
CACTVS 3.370
OC(=O)C(F)(F)F
OpenEye OEToolkits 1.7.0
C(=O)(C(F)(F)F)O
Formula
C2 H F3 O2
Name
trifluoroacetic acid
ChEMBL
CHEMBL506259
DrugBank
ZINC
ZINC000003860798
PDB chain
6t9u Chain A Residue 304 [
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Receptor-Ligand Complex Structure
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PDB
6t9u
Improving the selectivity of 3-amidinophenylalanine-derived matriptase inhibitors
Resolution
1.06751 Å
Binding residue
(original residue number in PDB)
H57 Q192 G193 S195
Binding residue
(residue number reindexed from 1)
H40 Q174 G175 S177
Annotation score
1
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:6t9u
,
PDBe:6t9u
,
PDBj:6t9u
PDBsum
6t9u
PubMed
UniProt
P00760
|TRY1_BOVIN Serine protease 1 (Gene Name=PRSS1)
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