Structure of PDB 6qoy Chain D Binding Site BS01

Receptor Information
>6qoy Chain D (length=199) Species: 186334 (Lysobacter sp. XL1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VNVLGGIEYSINNATLCSVGFSVTRGATKGFVTAGHCGGVGAIVRIGGTQ
VGSFAARVFPGNDRAWVSVGSAHTLQGAVSNYSGGTIAIRGSAEAAIGAA
VCRSGRTTGYRCGNITAKNVTANYAEGAVRGLTQGNACMGRGDSGGSWFT
SAGQAQGVMSGGNVQSNGNNCGIPASQRSSLFERVGPILSQYGLSLVTS
Ligand information
Ligand IDAES
InChIInChI=1S/C8H10FNO2S/c9-13(11,12)8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2
InChIKeyMGSKVZWGBWPBTF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=S(F)(=O)c1ccc(cc1)CCN
OpenEye OEToolkits 1.7.6c1cc(ccc1CCN)S(=O)(=O)F
CACTVS 3.370NCCc1ccc(cc1)[S](F)(=O)=O
FormulaC8 H10 F N O2 S
Name4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE;
AEBSF
ChEMBLCHEMBL1096339
DrugBankDB07347
ZINCZINC000008034834
PDB chain6qoy Chain D Residue 203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6qoy Serine bacteriolytic protease L1 of Lysobacter sp. XL1 complexed with protease inhibitor AEBSF: features of interaction
Resolution1.9 Å
Binding residue
(original residue number in PDB)		Y124 M139 G140 S144 V164
Binding residue
(residue number reindexed from 1)		Y124 M139 G140 S144 V164
Annotation score1
Enzymatic activity
Enzyme Commision number ?
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:6qoy, PDBe:6qoy, PDBj:6qoy
PDBsum6qoy
PubMed
UniProtD2K8B3

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