Structure of PDB 1c2k Chain A Binding Site BS02
Receptor Information
>1c2k Chain A (length=223) Species:
9913
(Bos taurus) [
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IVGGYTCGANTVPYQVSLNSGYHFCGGSLINSQWVVSAAHCYKSGIQVRL
GEDNINVVEGNEQFISASKSIVHPSYNSNTLNNDIMLIKLKSAASLNSRV
ASISLPTSCASAGTQCLISGWGNTKSSGTSYPDVLKCLKAPILSDSSCKS
AYPGQITSNMFCAGYLEGGKDSCQGDSGGPVVCSGKLQGIVSWGSGCAQK
NKPGVYTKVCNYVSWIKQTIASN
Ligand information
Ligand ID
ZN
InChI
InChI=1S/Zn/q+2
InChIKey
PTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.341
[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Zn+2]
Formula
Zn
Name
ZINC ION
ChEMBL
CHEMBL1236970
DrugBank
DB14532
ZINC
PDB chain
1c2k Chain A Residue 258 [
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Receptor-Ligand Complex Structure
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PDB
1c2k
Design of potent selective zinc-mediated serine protease inhibitors.
Resolution
1.65 Å
Binding residue
(original residue number in PDB)
H57 S195
Binding residue
(residue number reindexed from 1)
H40 S177
Annotation score
4
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:1c2k
,
PDBe:1c2k
,
PDBj:1c2k
PDBsum
1c2k
PubMed
9468142
UniProt
P00760
|TRY1_BOVIN Serine protease 1 (Gene Name=PRSS1)
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