Structure of PDB 6mju Chain A Binding Site BS02

Receptor Information
>6mju Chain A (length=331) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLN
TGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKNPLSQF
LEGEILSASKMLSKFRKIIKEEGSPAVTLISVDITLALESKSSWPASTQE
GLRIQNWLSAKVRKQLRLKPFYLVPKHAGFQEETWRLSFSHIEKEILNNH
GKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDEEHLDKFSSYHVKT
AFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNL
FSSNLIDKRSKEFLTKQIEYERNNEFPVFDE
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 chain6mju Chain A Residue 602 [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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PDB6mju Development of human cGAS-specific small-molecule inhibitors for repression of dsDNA-triggered interferon expression.
Resolution2.45 Å
Binding residue
(original residue number in PDB)		H390 C396 C397 C404
Binding residue
(residue number reindexed from 1)		H200 C206 C207 C214
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.86: cyclic GMP-AMP synthase.
External links
PDB RCSB:6mju, PDBe:6mju, PDBj:6mju
PDBsum6mju
PubMed31113940
UniProtQ8N884|CGAS_HUMAN Cyclic GMP-AMP synthase (Gene Name=CGAS)

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