Structure of PDB 8ofa Chain D Binding Site BS02

Receptor Information
>8ofa Chain D (length=220) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APRSVDWREKGYVTPVKNQGQCGSCWAFSATGALEGQMFRKTGRLISLSE
QNLVDCSGPQGNEGCNGGLMDYAFQYVQDNGGLDSEESYPYEATEESCKY
NPKYSVANDAGFVDIPKQEKALMKAVATVGPISVAIDAGHESFLFYKEGI
YFEPDCSSEDMDHGVLVVGYGFESTESDNNKYWLVKNSWGEEWGMGGYVK
MAKDRRNHCGIASAASYPTV
Ligand information
Ligand IDVLF
InChIInChI=1S/C17H19NO4S/c1-13-7-9-15(10-8-13)23(21,22)18-16(17(20)12-19)11-14-5-3-2-4-6-14/h2-10,16,18-19H,11-12H2,1H3/t16-/m0/s1
InChIKeyANXKZQCDTVNETG-INIZCTEOSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)CO
OpenEye OEToolkits 2.0.7Cc1ccc(cc1)S(=O)(=O)NC(Cc2ccccc2)C(=O)CO
CACTVS 3.385Cc1ccc(cc1)[S](=O)(=O)N[C@@H](Cc2ccccc2)C(=O)CO
CACTVS 3.385Cc1ccc(cc1)[S](=O)(=O)N[CH](Cc2ccccc2)C(=O)CO
FormulaC17 H19 N O4 S
Name4-methyl-~{N}-[(2~{S})-4-oxidanyl-3-oxidanylidene-1-phenyl-butan-2-yl]benzenesulfonamide
ChEMBL
DrugBank
ZINC
PDB chain8ofa Chain D Residue 311 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8ofa Crystal structure of human cathepsin L interacting with tosyl phenylalanyl chloromethyl ketone (TPCK)
Resolution1.9 Å
Binding residue
(original residue number in PDB)		C25 G67 G68 L69 A135 D162
Binding residue
(residue number reindexed from 1)		C25 G67 G68 L69 A135 D162
Annotation score1
Enzymatic activity
Enzyme Commision number 3.4.22.15: cathepsin L.
Gene Ontology
Molecular Function
GO:0008234 cysteine-type peptidase activity
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:8ofa, PDBe:8ofa, PDBj:8ofa
PDBsum8ofa
PubMed38630165
UniProtP07711|CATL1_HUMAN Procathepsin L (Gene Name=CTSL)

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