Structure of PDB 5mrs Chain D Binding Site BS01

Receptor Information
>5mrs 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 chain5mrs 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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PDB5mrs Crystal structure of L1 protease Lysobacter sp. XL1 in complex with AEBSF
Resolution1.9 Å
Binding residue
(original residue number in PDB)		M139 G140 S144 M159
Binding residue
(residue number reindexed from 1)		M139 G140 S144 M159
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:5mrs, PDBe:5mrs, PDBj:5mrs
PDBsum5mrs
PubMed
UniProtD2K8B3

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