Structure of PDB 7uxw Chain A Binding Site BS08

Receptor Information
>7uxw Chain A (length=346) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DKLKKVLDKLRLKRKDISEAAETVNKVVERLLRRMQKESEFKGVEQLNTG
SYYEHVKISAPNQFNVMFKLEVPRIELQEYYETGAFYLVKFGPLSHFLEG
VLSATKMLSKFRKIIKEEVKEIKDIDVSVEKEKPGSPAVTLLIRNPEEIS
VDIILALESKGSWPISTKEGLPIQGWLGTKVRTNLRREPFYLVPKNAQGE
TWRLSFSHTEKYILNNHGIEKTCCESSGAKCCRKECLKLMKYLLEQLKKE
FQELDAFCSYHVKTAIFHMWTQDPQDSQWDPRNLSSCFDKLLAFFLECLR
TEKLDHYFIPKFNLFSQELIDRKSKEFLSKKIEYERNNGFPIFDKL
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 chain7uxw Chain A Residue 604 [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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PDB7uxw ATP and GTP bind to Cyclic GMP AMP synthase (cGAS) through Mg coordination
Resolution2.57 Å
Binding residue
(original residue number in PDB)
H378 C384 C385 C392
Binding residue
(residue number reindexed from 1)
H217 C223 C224 C231
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.86: cyclic GMP-AMP synthase.
External links
PDB RCSB:7uxw, PDBe:7uxw, PDBj:7uxw
PDBsum7uxw
PubMed
UniProtQ8C6L5|CGAS_MOUSE Cyclic GMP-AMP synthase (Gene Name=Cgas)

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