Structure of PDB 7q8h Chain AA Binding Site BS02

Receptor Information
>7q8h Chain AA (length=221) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LPKSVDWRKKGYVTPVKNQKQCGSAWAFSATGALEGQMFRKTGKLVSLSE
QNLVDCSRPQGNQGCNGGFMARAFQYVKENGGLDSEESYPYVAVDEICKY
RPENSVAQDTGFTVVAPGKEKALMKAVATVGPISVAMDAGHSSFQFYKSG
IYFEPDCSSKNLDHGVLVVGYGFEGANSQNSKYWLVKNSWGPEWGSNGYV
KIAKDKNNHCGIATAASYPNV
Ligand information
Ligand IDTFA
InChIInChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)
InChIKeyDTQVDTLACAAQTR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01FC(F)(F)C(=O)O
CACTVS 3.370OC(=O)C(F)(F)F
OpenEye OEToolkits 1.7.0C(=O)(C(F)(F)F)O
FormulaC2 H F3 O2
Nametrifluoroacetic acid
ChEMBLCHEMBL506259
DrugBank
ZINCZINC000003860798
PDB chain7q8h Chain AA Residue 306 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7q8h Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		E120 K121 K182 K204 D205
Binding residue
(residue number reindexed from 1)		E120 K121 K182 K204 D205
Annotation score1
Enzymatic activity
Enzyme Commision number 3.4.22.43: cathepsin V.
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:7q8h, PDBe:7q8h, PDBj:7q8h
PDBsum7q8h
PubMed37095140
UniProtO60911|CATL2_HUMAN Cathepsin L2 (Gene Name=CTSV)

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