Structure of PDB 5mrs Chain B Binding Site BS01

Receptor Information
>5mrs Chain B (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 B Residue 202 [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 R141 S144 M159 G161 G162
Binding residue
(residue number reindexed from 1)		M139 G140 R141 S144 M159 G161 G162
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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