Structure of PDB 6lzo Chain A Binding Site BS05

Receptor Information
>6lzo Chain A (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 IDPHN
InChIInChI=1S/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H
InChIKeyDGEZNRSVGBDHLK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc2ccc3cccnc3c2nc1
CACTVS 3.341c1cnc2c(c1)ccc3cccnc23
ACDLabs 10.04n1c3c(ccc1)ccc2cccnc23
FormulaC12 H8 N2
Name1,10-PHENANTHROLINE
ChEMBLCHEMBL415879
DrugBankDB02365
ZINCZINC000000164363
PDB chain6lzo Chain A Residue 407 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6lzo Structural analysis of metal chelation of the metalloproteinase thermolysin by 1,10-phenanthroline.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		R11 Q17 Q61 F63
Binding residue
(residue number reindexed from 1)		R11 Q17 Q61 F63
Annotation score1
Binding affinityBindingDB: IC50=3.6nM
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:6lzo, PDBe:6lzo, PDBj:6lzo
PDBsum6lzo
PubMed33310458
UniProtP00800|THER_BACTH Thermolysin (Gene Name=npr)

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