Structure of PDB 8g2p Chain C Binding Site BS05
Receptor Information
>8g2p Chain C (length=346) Species:
10090
(Mus musculus) [
Search protein sequence
] [
Download receptor structure
] [
Download structure with residue number starting from 1
] [
View receptor structure
]
KLKKVLDKLRLKRKDISEAAETVNKVVERLLRRMQKRESEFKGVEQLNTG
SYYEHVKISAPNEFDVMFKLEVPRIELQEYYETGAFYLVKFNPLSHFLGV
LSATKMLSKFRKIIKEEVKEIKDIDVSVEKEKPGSPAVTLLIRNPEEISV
NIILALESKGSWPISTKEGLPIQGWLGTKVRTNLRREPFYLVPKNAFQGE
TWRLSFSHTEKYILNNHGIEKTCCESSGAKCCRKECLKLMKYLLEQLKKE
FQELDAFCSYHVKTAIFHMWTQDPQDSQWDPRNLSSCFDKLLAFFLECLR
TEKLDHYFIPKFNLFSQELIDRKSKEFLSKKIEYERNNGFPIFDKL
Ligand information
Ligand ID
GTP
InChI
InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKey
XKMLYUALXHKNFT-UUOKFMHZSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.7.6
c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.370
NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.370
NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6
c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
ACDLabs 12.01
O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
Formula
C10 H16 N5 O14 P3
Name
GUANOSINE-5'-TRIPHOSPHATE
ChEMBL
CHEMBL1233147
DrugBank
DB04137
ZINC
ZINC000060094177
PDB chain
8g2p Chain C Residue 602 [
Download ligand structure
] [
Download structure with residue number starting from 1
] [
View ligand structure
]
Receptor-Ligand Complex Structure
Global view
Local view
Structure 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
]
PDB
8g2p
Structure of Ternary Complex of cGAS with dsDNA and Bound ATP and GTP
Resolution
2.521 Å
Binding residue
(original residue number in PDB)
T197 M215 S291 P292 N307 I309 K350 R364 S366 S368
Binding residue
(residue number reindexed from 1)
T49 M67 S135 P136 N151 I153 K194 R203 S205 S207
Annotation score
4
External links
PDB
RCSB:8g2p
,
PDBe:8g2p
,
PDBj:8g2p
PDBsum
8g2p
PubMed
UniProt
Q8C6L5
|CGAS_MOUSE Cyclic GMP-AMP synthase (Gene Name=Cgas)
[
Back to BioLiP
]