Structure of PDB 7ebt Chain C Binding Site BS01
Receptor Information
>7ebt Chain C (length=220) Species:
7159
(Aedes aegypti) [
Search protein sequence
] [
Download receptor structure
] [
Download structure with residue number starting from 1
] [
View receptor structure
]
HMMSKPVLYYDDISPPVRGVLLTVAALGIKDQVELKLVRLFEREHLLEDF
VKLNPLHAVPVLKHDDLVLTDSHAIIMYLCDIFGQDGDFSLKDPKQRARV
HNRLCFNNAVLFQRESIVMRGLINRSIVTLEDHHLKPVQEAYDCLEVYLT
NSKFVACDQLTVADFPIVACMSTVGMVCPLSTSRWPKTAAWFETMKQLPY
YQQANQVGVDKLKERLHAVM
Ligand information
Ligand ID
GSH
InChI
InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
InChIKey
RWSXRVCMGQZWBV-WDSKDSINSA-N
SMILES
Software
SMILES
ACDLabs 12.01
O=C(NCC(=O)O)C(NC(=O)CCC(C(=O)O)N)CS
OpenEye OEToolkits 1.7.6
C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N
CACTVS 3.370
N[CH](CCC(=O)N[CH](CS)C(=O)NCC(O)=O)C(O)=O
CACTVS 3.370
N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O
OpenEye OEToolkits 1.7.6
C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N
Formula
C10 H17 N3 O6 S
Name
GLUTATHIONE
ChEMBL
CHEMBL1543
DrugBank
DB00143
ZINC
ZINC000003830891
PDB chain
7ebt Chain C Residue 301 [
Download ligand structure
] [
Download structure with residue number starting from 1
] [
View ligand structure
]
Receptor-Ligand Complex Structure
Global view
Local view
Structure summary
[
Spin on
] [
Spin off
] [
Reset
]
[
High quality
] [
Low quality
]
[
White background
] [
Black background
]
[
Spin on
] [
Spin off
] [
Reset
]
[
High quality
] [
Low quality
]
[
White background
] [
Black background
]
PDB
7ebt
Molecular action of larvicidal flavonoids on ecdysteroidogenic glutathione S-transferase Noppera-bo in Aedes aegypti.
Resolution
1.51 Å
Binding residue
(original residue number in PDB)
S12 P14 L38 H43 H55 A56 V57 D69 S70 H71 F110
Binding residue
(residue number reindexed from 1)
S14 P16 L40 H45 H57 A58 V59 D71 S72 H73 F112
Annotation score
4
Enzymatic activity
Enzyme Commision number
2.5.1.18
: glutathione transferase.
External links
PDB
RCSB:7ebt
,
PDBe:7ebt
,
PDBj:7ebt
PDBsum
7ebt
PubMed
35172816
UniProt
A0A1S4FIB3
[
Back to BioLiP
]