Structure of PDB 4nsv Chain B Binding Site BS01

Receptor Information
>4nsv Chain B (length=264) Species: 69 (Lysobacter enzymogenes) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GVSGSCNIDVVCPEGNGHRDVIRSVAAYSRQGTMWCTGSLVNNSANDKKM
YFLTANHCGMTTAAIASSMVVYWNYQNSTCRAPGSSSSGANGDGSLAQSQ
TGAVVRATNAASDFTLLELNTAANPAYNLFWAGWDRRDQNFAGATAIHHP
NVAEKRISHSTVATEISGYNGATGTSHLHVFWQASGGVTEPGSSGSPIYS
PEKRVLGQLHGGPSSCSATGADRSDYYGRVFTSWTGGGTSATRLSDWLDA
AGTGAQFIDGLDST
Ligand information
Ligand ID2OY
InChIInChI=1S/C14H23ClN2O3S/c1-11-5-7-12(8-6-11)21(19,20)17-13(14(18)10-15)4-2-3-9-16/h5-8,13-14,17-18H,2-4,9-10,16H2,1H3/t13-,14+/m0/s1
InChIKeyHBYAITRXPLQDLO-UONOGXRCSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=S(=O)(NC(CCCCN)C(O)CCl)c1ccc(cc1)C
CACTVS 3.385Cc1ccc(cc1)[S](=O)(=O)N[C@@H](CCCCN)[C@H](O)CCl
OpenEye OEToolkits 1.7.6Cc1ccc(cc1)S(=O)(=O)NC(CCCCN)C(CCl)O
OpenEye OEToolkits 1.7.6Cc1ccc(cc1)S(=O)(=O)N[C@@H](CCCCN)[C@@H](CCl)O
CACTVS 3.385Cc1ccc(cc1)[S](=O)(=O)N[CH](CCCCN)[CH](O)CCl
FormulaC14 H23 Cl N2 O3 S
NameN-[(2S,3S)-7-amino-1-chloro-2-hydroxyheptan-3-yl]-4-methylbenzenesulfonamide (Bound Form);
Tosyllysine Chloromethyl Ketone (Bound Form)
ChEMBL
DrugBank
ZINCZINC000098208227
PDB chain4nsv Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4nsv Atomic resolution structure of a lysine-specific endoproteinase from Lysobacter enzymogenes suggests a hydroxyl group bound to the oxyanion hole.
Resolution0.9 Å
Binding residue
(original residue number in PDB)		Y169 H210
Binding residue
(residue number reindexed from 1)		Y169 H210
Annotation score1
Enzymatic activity
Enzyme Commision number 3.4.21.50: lysyl 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:4nsv, PDBe:4nsv, PDBj:4nsv
PDBsum4nsv
PubMed25004961
UniProtQ7M135|LYSC_LYSEN Lysyl endopeptidase

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