Structure of PDB 7q8m Chain AA Binding Site BS04
Receptor Information
>7q8m Chain AA (length=222) Species:
9606
(Homo sapiens) [
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DLPKSVDWRKKGYVTPVKNQKQCGSAWAFSATGALEGQMFRKTGKLVSLS
EQNLVDCSRPQGNQGCNGGFMARAFQYVKENGGLDSEESYPYVAVDEICK
YRPENSVAQDTGFTVVAPGKEKALMKAVATVGPISVAMDAGHSSFQFYKS
GIYFEPDCSSKNLDHGVLVVGYGFEGANSQNSKYWLVKNSWGPEWGSNGY
VKIAKDKNNHCGIATAASYPNV
Ligand information
Ligand ID
TFA
InChI
InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)
InChIKey
DTQVDTLACAAQTR-UHFFFAOYSA-N
SMILES
Software
SMILES
ACDLabs 12.01
FC(F)(F)C(=O)O
CACTVS 3.370
OC(=O)C(F)(F)F
OpenEye OEToolkits 1.7.0
C(=O)(C(F)(F)F)O
Formula
C2 H F3 O2
Name
trifluoroacetic acid
ChEMBL
CHEMBL506259
DrugBank
ZINC
ZINC000003860798
PDB chain
7q8m Chain AA Residue 306 [
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Receptor-Ligand Complex Structure
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PDB
7q8m
Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins.
Resolution
1.57 Å
Binding residue
(original residue number in PDB)
F70 M71 A72 A216
Binding residue
(residue number reindexed from 1)
F70 M71 A72 A216
Annotation score
1
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:7q8m
,
PDBe:7q8m
,
PDBj:7q8m
PDBsum
7q8m
PubMed
37095140
UniProt
O60911
|CATL2_HUMAN Cathepsin L2 (Gene Name=CTSV)
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