Structure of PDB 8img Chain A Binding Site BS01

Receptor Information
>8img Chain A (length=342) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLN
YYEHKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKKRNPNPLSQFLE
GEILSASKMLSKFRKIIKEEINDIVIMKRGSAVTLLISEKISVDITLALE
SKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKGFQEETWRLS
FSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKK
HLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTE
KLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFD
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain8img Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure 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]
PDB8img Discovery of novel cGAS inhibitors based on natural flavonoids.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		H390 C396 C397 C404
Binding residue
(residue number reindexed from 1)		H212 C218 C219 C226
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.86: cyclic GMP-AMP synthase.
External links
PDB RCSB:8img, PDBe:8img, PDBj:8img
PDBsum8img
PubMed37666112
UniProtQ8N884|CGAS_HUMAN Cyclic GMP-AMP synthase (Gene Name=CGAS)

[Back to BioLiP]