Structure of PDB 7kxs Chain B Binding Site BS01

Receptor Information
>7kxs Chain B (length=343) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DKLKKVLDKLRLDPKDISEAAETVNKVVERLLRRMQKRESEFKGVEQLFI
YEKVKISAPNEFDVMFKLEVPRIELQEYYETGAFYLVKFKRNPLSHFLEG
EVLSATKMLSKFRKIIKEEVKEIKDIDVSVEKEKPGSPAVTLLIRNPEEI
SVDIILALESKGSWPISTKEGLPIQGWLGTKVRTNLRREPFYLVPKQGET
WRLSFSHTEKYILNNHGIEKTCCESSGAKCCRMECLMLMKYLLEQLKKEF
QELDAFCSYHVKTAIFHMWTQDPQDSQWDPRNLSSCFDKLLAFFLECLRT
EKLDHYFIPKFNLFSQELIDRKSKEFLSKKIEYERNNGFPIFD
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 chain7kxs Chain B 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]
PDB7kxs Computational design of constitutively active cGAS.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		H378 C385 C392
Binding residue
(residue number reindexed from 1)		H216 C223 C230
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.86: cyclic GMP-AMP synthase.
External links
PDB RCSB:7kxs, PDBe:7kxs, PDBj:7kxs
PDBsum7kxs
PubMed36593311
UniProtQ8C6L5|CGAS_MOUSE Cyclic GMP-AMP synthase (Gene Name=Cgas)

[Back to BioLiP]