Structure of PDB 3pro Chain D Binding Site BS01

Receptor Information
>3pro Chain D (length=152) Species: 69 (Lysobacter enzymogenes) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QVDPQLKFAMQRDLGIFPTQLPQYLQTEKLARTQAAAIEREFGAQFAGSW
IERNEDGSFKLVAATSGARKSSTLGGVEVRNVRYSLKQLQSAMEQLDAGA
NLDGVQSWYVDPRSNAVVVKVDDGATDAGVDFVALSGADSAQVRIESSPG
KL
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 chain3pro Chain B Residue 199 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3pro Structure of alpha-lytic protease complexed with its pro region.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		K162 L163
Binding residue
(residue number reindexed from 1)		K151 L152
Annotation score1
Enzymatic activity
Enzyme Commision number 3.4.21.12: alpha-lytic endopeptidase.
Gene Ontology
Molecular Function
GO:0008236 serine-type peptidase activity
Biological Process
GO:0006508 proteolysis
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3pro, PDBe:3pro, PDBj:3pro
PDBsum3pro
PubMed9808037
UniProtP00778|PRLA_LYSEN Alpha-lytic protease (Gene Name=alpha-LP)

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