Structure of PDB 7q8h Chain BA Binding Site BS02

Receptor Information
>7q8h Chain BA (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 BA Residue 506 [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)		F290 M291 A292 A436
Binding residue
(residue number reindexed from 1)		F69 M70 A71 A215
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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