Structure of PDB 6zjc Chain C Binding Site BS03
Receptor Information
>6zjc Chain C (length=220) Species:
9796
(Equus caballus) [
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VKPMLHYFNGRGRMEPIRWLLAAAGVEFEETFIDTPEDFEKLKNDGSLMF
QQVPMVEIDGMKLVQSRAILNYVAAKHNLYGKDIKERALIDMYIEGVADL
NEMILLLPITPPAEKDAKIMLIKDRTTNRYLPAFEKVLKSHGEDYLVGNR
LSRADIHLVELLYLVEELDPSLLTNFPLLKALKARISNLPTVKKFLQPGG
ARKPPGDEKSVEKSRKIFKF
Ligand information
Ligand ID
QLT
InChI
InChI=1S/3C2H5.BrH.Sn/c3*1-2;;/h3*1H2,2H3;1H;/q;;;;+1/p-1
InChIKey
KQPIFPBKXYBDGV-UHFFFAOYSA-M
SMILES
Software
SMILES
OpenEye OEToolkits 2.0.7
CC[Sn](CC)(CC)Br
CACTVS 3.385
CC[Sn](Br)(CC)CC
Formula
C6 H15 Br Sn
Name
Triethyltin bromide;
bromanyl(triethyl)stannane
ChEMBL
DrugBank
ZINC
ZINC000170154663
PDB chain
6zjc Chain C Residue 302 [
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Receptor-Ligand Complex Structure
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PDB
6zjc
Structural and functional analysis of the inhibition of equine glutathione transferase A3-3 by organotin endocrine disrupting pollutants.
Resolution
2.2 Å
Binding residue
(original residue number in PDB)
Y9 L107 F220 F222
Binding residue
(residue number reindexed from 1)
Y7 L105 F218 F220
Annotation score
1
Binding affinity
MOAD
: ic50=9.6uM
Enzymatic activity
Enzyme Commision number
2.5.1.18
: glutathione transferase.
Gene Ontology
Molecular Function
GO:0004364
glutathione transferase activity
GO:0016740
transferase activity
View graph for
Molecular Function
External links
PDB
RCSB:6zjc
,
PDBe:6zjc
,
PDBj:6zjc
PDBsum
6zjc
PubMed
33162212
UniProt
M9ZT87
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