Structure of PDB 6sc3 Chain E Binding Site BS07

Receptor Information
>6sc3 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 ID0A9
InChIInChI=1S/C10H13NO2/c1-13-10(12)9(11)7-8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3/t9-/m0/s1
InChIKeyVSDUZFOSJDMAFZ-VIFPVBQESA-N
SMILES
SoftwareSMILES
CACTVS 3.370COC(=O)[CH](N)Cc1ccccc1
CACTVS 3.370COC(=O)[C@@H](N)Cc1ccccc1
OpenEye OEToolkits 1.7.0COC(=O)[C@H](Cc1ccccc1)N
OpenEye OEToolkits 1.7.0COC(=O)C(Cc1ccccc1)N
ACDLabs 12.01O=C(OC)C(N)Cc1ccccc1
FormulaC10 H13 N O2
Namemethyl L-phenylalaninate
ChEMBLCHEMBL51969
DrugBankDB06838
ZINCZINC000019419113
PDB chain6sc3 Chain E Residue 407 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6sc3 THERMOLYSIN IN COMPLEX WITH FRAGMENT J62
Resolution1.82 Å
Binding residue
(original residue number in PDB)		T26 Y27 Y29
Binding residue
(residue number reindexed from 1)		T26 Y27 Y29
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:6sc3, PDBe:6sc3, PDBj:6sc3
PDBsum6sc3
PubMed
UniProtP00800|THER_BACTH Thermolysin (Gene Name=npr)

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