Structure of PDB 6edb Chain A Binding Site BS03

Receptor Information
>6edb Chain A (length=357) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGS
YYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLS
QFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLIS
EKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKH
AKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLM
KYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLC
FDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERN
NEFPVFD
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 chain6edb 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

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PDB6edb Human cGAS catalytic domain has an additional DNA-binding interface that enhances enzymatic activity and liquid-phase condensation.
Resolution3.209 Å
Binding residue
(original residue number in PDB)		H390 C397 C404
Binding residue
(residue number reindexed from 1)		H227 C234 C241
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.86: cyclic GMP-AMP synthase.
External links
PDB RCSB:6edb, PDBe:6edb, PDBj:6edb
PDBsum6edb
PubMed31142647
UniProtQ05066|SRY_HUMAN Sex-determining region Y protein (Gene Name=SRY);
Q8N884|CGAS_HUMAN Cyclic GMP-AMP synthase (Gene Name=CGAS)

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