Structure of PDB 6scu Chain E Binding Site BS06

Receptor Information
>6scu 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]
ITGTSTVGVGRGVLGDQKNINTTYSTYYYLQDNTRGNGIFTYDAKYRTTL
PGSLWADADNQFFASYDAPAVDAHYYAGVTYDYYKNVHNRLSYDGNNAAI
RSSVHYSQGYNNAFWNGSQMVYGDGDGQTFIPLSGGIDVVAHELTHAVTD
YTAGLIYQNESGAINEAISDIFGTLVEFYANKNPDWEIGEDVYTPGISGD
SLRSMSDPAKYGDPDHYSKRYTGTQDNGGVHINSGIINKAAYLISQGGTH
YGVSVVGIGRDKLGKIFYRALTQYLTPTSNFSQLRAAAVQSATDLYGSTS
QEVASVKQAFDAVGVK
Ligand information
Ligand ID88B
InChIInChI=1S/C4H8N2O3/c5-6-3(7)1-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9)
InChIKeyXRMBRQWBOICYRP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385NNC(=O)CCC(O)=O
OpenEye OEToolkits 2.0.7C(CC(=O)O)C(=O)NN
FormulaC4 H8 N2 O3
Name4-diazanyl-4-oxidanylidene-butanoic acid
ChEMBLCHEMBL2164246
DrugBank
ZINCZINC000001700248
PDB chain6scu Chain E Residue 407 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6scu THERMOLYSIN IN COMPLEX WITH FRAGMENT J88
Resolution1.42 Å
Binding residue
(original residue number in PDB)		A113 H142 E143 H146 Y157 E166 H231
Binding residue
(residue number reindexed from 1)		A113 H142 E143 H146 Y157 E166 H231
Annotation score1
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:6scu, PDBe:6scu, PDBj:6scu
PDBsum6scu
PubMed
UniProtP00800|THER_BACTH Thermolysin (Gene Name=npr)

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