Structure of PDB 4k99 Chain A Binding Site BS05
Receptor Information
>4k99 Chain A (length=354) Species:
10090
(Mus musculus) [
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KLKKVLDKLRLKRKDISEAAETVNKVVERLLRRMQKRESEFKGVEQLNTG
SYYEHVKISAPNEFDVMFKLEVPRIELQEYYETGAFYLVKFKGNPLSHFL
EGEVLSATKMLSKFRKIIKEEVKEIKDIDVSVEKEKPGSPAVTLLIRNPE
EISVDIILALESKGSWPISTKEGLPIQGWLGTKVRTNLRREPFYLVPKNA
KDGNSFQGETWRLSFSHTEKYILNNHGIEKTCCESSGAKCCRKECLKLMK
YLLEQLKKEFQELDAFCSYHVKTAIFHMWTQDPQDSQWDPRNLSSCFDKL
LAFFLECLRTEKLDHYFIPKFNLFSQELIDRKSKEFLSKKIEYERNNGFP
IFDK
Ligand information
Ligand ID
MG
InChI
InChI=1S/Mg/q+2
InChIKey
JLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
Software
SMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Mg+2]
CACTVS 3.341
[Mg++]
Formula
Mg
Name
MAGNESIUM ION
ChEMBL
DrugBank
DB01378
ZINC
PDB chain
4k99 Chain A Residue 603 [
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Receptor-Ligand Complex Structure
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PDB
4k99
Cyclic [G(2',5')pA(3',5')p] is the metazoan second messenger produced by DNA-activated cyclic GMP-AMP synthase.
Resolution
1.95 Å
Binding residue
(original residue number in PDB)
E211 D213 D307
Binding residue
(residue number reindexed from 1)
E63 D65 D155
Annotation score
1
Enzymatic activity
Enzyme Commision number
2.7.7.86
: cyclic GMP-AMP synthase.
External links
PDB
RCSB:4k99
,
PDBe:4k99
,
PDBj:4k99
PDBsum
4k99
PubMed
23647843
UniProt
Q8C6L5
|CGAS_MOUSE Cyclic GMP-AMP synthase (Gene Name=Cgas)
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