Structure of PDB 3t2i Chain E Binding Site BS06

Receptor Information
>3t2i Chain E (length=316) Species: 1427 (Bacillus thermoproteolyticus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ITGTSTVGVGRGVLGDQKNINTTYSTYYYLQDNTRGDGIFTYDAKYRTTL
PGSLWADADNQFFASYDAPAVDAHYYAGVTYDYYKNVHNRLSYDGNNAAI
RSSVHYSQGYNNAFWNGSEMVYGDGDGQTFIPLSGGIDVVAHELTHAVTD
YTAGLIYQNESGAINEAISDIFGTLVEFYANKNPDWEIGEDVYTPGISGD
SLRSMSDPAKYGDPDHYSKRYTGTQDNGGVHINSGIINKAAYLISQGGTH
YGVSVVGIGRDKLGKIFYRALTQYLTPTSNFSQLRAAAVQSATDLYGSTS
QEVASVKQAFDAVGVK
Ligand information
Ligand IDSAR
InChIInChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)
InChIKeyFSYKKLYZXJSNPZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)CNC
CACTVS 3.370CNCC(O)=O
OpenEye OEToolkits 1.7.0CNCC(=O)O
FormulaC3 H7 N O2
NameSARCOSINE
ChEMBLCHEMBL304383
DrugBankDB12519
ZINCZINC000004658561
PDB chain3t2i Chain E Residue 2002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3t2i The use of trimethylamine N-oxide as a primary precipitating agent and related methylamine osmolytes as cryoprotective agents for macromolecular crystallography.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		N21 R35
Binding residue
(residue number reindexed from 1)		N21 R35
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.24.27: thermolysin.
Gene Ontology
Molecular Function
GO:0004222 metalloendopeptidase activity
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:3t2i, PDBe:3t2i, PDBj:3t2i
PDBsum3t2i
PubMed22194335
UniProtP00800|THER_BACTH Thermolysin (Gene Name=npr)

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