Structure of PDB 3i77 Chain A Binding Site BS01

Receptor Information
>3i77 Chain A (length=230) Species: 1911 (Streptomyces griseus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VVGGTRAAQGEFPFMVRLINEENEGFCGGALYAQDIVLTAAHCVSGSGNN
TSITATGGVVDLQSSSAVKVRSTKVLQAPGFTKETYGKDWALIKLAQPIN
QPTLKIATTTAYNQGTFTVAGWGANREGGSQQRYLLKANVPFVSDAACRS
SSSFILVANEMICAGYPDTGGVDTCQGDSGGPMFRKDNADEWIQVGIVSW
GYGCARPGYPGVYTEVSTFASAIASAARTL
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain3i77 Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB3i77 Combinatorial Enzyme Design Probes Allostery and Cooperativity in the Trypsin Fold.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		D165 A177A M180 E230
Binding residue
(residue number reindexed from 1)		D145 A158 M161 E215
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) H57 D102 Q192 G193 D194 S195 G196
Catalytic site (residue number reindexed from 1) H42 D89 Q176 G177 D178 S179 G180
Enzyme Commision number 3.4.21.4: trypsin.
Gene Ontology
Molecular Function
GO:0004252 serine-type endopeptidase activity
Biological Process
GO:0006508 proteolysis

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3i77, PDBe:3i77, PDBj:3i77
PDBsum3i77
PubMed20399789
UniProtP00775|TRYP_STRGR Trypsin (Gene Name=sprT)

[Back to BioLiP]