Structure of PDB 3beu Chain B Binding Site BS01

Receptor Information
>3beu Chain B (length=224) Species: 1911 (Streptomyces griseus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VVGGTRAAQGEFPFMVRLSMGCGGALYAQDIVLTAAHCVSGSGNNTSITA
TGGVVDLQSSSAVKVRSTKVLQAPGFTKETYGKDWALIKLAQPINQPTLK
IATTTAYNQGTFTVAGWGANREGGSQQRYLLKANVPFVSDAACRSSSSFI
LVANEMICAGYDTKQEDTCQGDSGGPMFRKDNADEWVQVGIVSWGEGCAR
KGKYGVYTEVSTFASAIASAARTL
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 chain3beu Chain B Residue 249 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3beu Engineering protein allostery: 1.05 A resolution structure and enzymatic properties of a Na+-activated trypsin.
Resolution1.05 Å
Binding residue
(original residue number in PDB)		D165 A177A M180 E230
Binding residue
(residue number reindexed from 1)		D140 A153 M156 E209
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) H37 D84 Q170 G171 D172 S173 G174
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:3beu, PDBe:3beu, PDBj:3beu
PDBsum3beu
PubMed18377928
UniProtP00775|TRYP_STRGR Trypsin (Gene Name=sprT)

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