Structure of PDB 3tgi Chain E Binding Site BS01
Receptor Information
>3tgi Chain E (length=223) Species:
10116
(Rattus norvegicus) [
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IVGGYTCQENSVPYQVSLNSGYHFCGGSLINDQWVVSAAHCYKSRIQVRL
GEHNINVLEGNEQFVNAAKIIKHPNFDRKTLNNDIMLIKLSSPVKLNARV
ATVALPSSCAPAGTQCLISGWGNTLSSGVNEPDLLQCLDAPLLPQADCEA
SYPGKITDNMVCVGFLEGGKDSCQGDSGGPVVCNGELQGIVSWGYGCALP
DNPGVYTKVCNYVDWIQDTIAAN
Ligand information
Ligand ID
CA
InChI
InChI=1S/Ca/q+2
InChIKey
BHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.341
[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Ca+2]
Formula
Ca
Name
CALCIUM ION
ChEMBL
DrugBank
DB14577
ZINC
PDB chain
3tgi Chain E Residue 800 [
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Receptor-Ligand Complex Structure
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PDB
3tgi
Comparison of Anionic and Cationic Trypsinogens: The Anionic Activation Domain is More Flexible in Solution and Differs in its Mode of Bpti Binding in the Crystal Structure
Resolution
1.8 Å
Binding residue
(original residue number in PDB)
E70 N72 V75 E77 E80
Binding residue
(residue number reindexed from 1)
E52 N54 V57 E59 E62
Annotation score
4
Enzymatic activity
Catalytic site (original residue number in PDB)
G193 S195 G196
Catalytic site (residue number reindexed from 1)
G175 S177 G178
Enzyme Commision number
3.4.21.4
: trypsin.
Gene Ontology
Molecular Function
GO:0004252
serine-type endopeptidase activity
GO:0005509
calcium ion binding
GO:0005515
protein binding
GO:0008236
serine-type peptidase activity
GO:0046872
metal ion binding
Biological Process
GO:0006508
proteolysis
GO:0007584
response to nutrient
GO:0007586
digestion
GO:0030574
collagen catabolic process
Cellular Component
GO:0005576
extracellular region
GO:0005615
extracellular space
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Molecular Function
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Cellular Component
External links
PDB
RCSB:3tgi
,
PDBe:3tgi
,
PDBj:3tgi
PDBsum
3tgi
PubMed
10210204
UniProt
P00763
|TRY2_RAT Anionic trypsin-2 (Gene Name=Prss2)
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