UniProt Q8C6L5
Cyclic GMP-AMP synthase (Q8C6L5)
Cyclic GMP-AMP synthase (UniProt Q8C6L5), EC 2.7.7.86: 39 experimental structures and 1 predicted model on GenesisL1, 12 ligands bound, 38 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- Q8C6L5
- Protein
- Cyclic GMP-AMP synthase
- EC
- 2.7.7.86
- Experimental structures
- 39
- Predicted models
- 1
- Ligands
- 12
- Pockets
- 38 · 4 records with a druggable one
Structures
40 records of Q8C6L5 in the MolNFT archive: 39 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 4K8V | Structure of cyclic GMP-AMP Synthase (cGAS) | x-ray diffraction | C, A, B, D | — | — |
| 4K8V | Structure of cyclic gmp-AMP synthase (cgas) | x-ray diffraction | C, A, B, D | — | — |
| 4K96 | Structure of Binary Complex of cGAS with Bound dsDNA | x-ray diffraction | A, B | — | — |
| 4K96 | Structure of binary complex of cgas with bound dsdna | x-ray diffraction | A, B | — | — |
| 4K97 | Structure of Ternary Complex of cGAS with dsDNA and Bound ATP | x-ray diffraction | A | — | — |
| 4K97 | Structure of ternary complex of cgas with dsdna and bound ATP | x-ray diffraction | A | — | — |
| 4K98 | Structure of Ternary Complex of cGAS with dsDNA and Bound 5 -pppG(2 ,5 )pG | x-ray diffraction | A | — | — |
| 4K98 | Structure of ternary complex of cgas with dsdna and bound 5 -PPPG(2 ,5 )pg | x-ray diffraction | A | — | — |
| 4K99 | Structure of Ternary Complex of cGAS with dsDNA and Bound 5 -pppdG(2 ,5 )pdG | x-ray diffraction | A | — | — |
| 4K99 | Structure of ternary complex of cgas with dsdna and bound 5 -PPPDG(2 , 5 )pdg | x-ray diffraction | A | — | — |
| 4K9A | Structure of Ternary Complex of cGAS with dsDNA and Bound 5 -pG(2 ,5 )pA | x-ray diffraction | A | — | — |
| 4K9A | Structure of ternary complex of cgas with dsdna and bound 5 -PG(2 ,5 )pa | x-ray diffraction | A | — | — |
| 4K9B | Structure of Ternary Complex of cGAS with dsDNA and Bound c[G(2 ,5 )pA(3 ,5 )p] | x-ray diffraction | A | — | — |
| 4K9B | Structure of ternary complex of cgas with dsdna and bound C[G(2 ,5 ) PA(3 ,5 )P] | x-ray diffraction | A | — | — |
| 4LEY | Structure of mouse cgas bound to 18 bp DNA | x-ray diffraction | A, B, C, D | — | — |
| 4LEZ | Structure of mouse cGAS bound to an 18bp DNA and cGAS product | x-ray diffraction | A, C | — | — |
| 4LEZ | Structure of mouse cgas bound to an 18BP DNA and cgas product | x-ray diffraction | A, C | — | — |
| 4O6A | Mouse cyclic GMP-AMP synthase (cGAS) in complex with DNA | x-ray diffraction | A, B | — | — |
| 4O6A | Mouse cyclic gmp-AMP synthase (cgas) in complex with DNA | x-ray diffraction | A, B | — | — |
| 5N6I | Crystal structure of mouse cgas in complex with 39 bp DNA | x-ray diffraction | A, B, C, D, E, F | ZN | — |
| 5XZB | Mouse cgas bound to the inhibitor RU365 | x-ray diffraction | A | ZN, A9Y | — |
| 5XZE | Mouse cgas bound to the inhibitor RU332 | x-ray diffraction | A | ZN, AE7 | — |
| 5XZG | Mouse cgas bound to the inhibitor RU521 | x-ray diffraction | A | ZN, AEV | — |
| 6X59 | The mouse cgas catalytic domain binding to human assembled nucleosome | electron microscopy | K | ZN | — |
| 6X5A | The mouse cgas catalytic domain binding to human nucleosome that purified from HEK293T cells | electron microscopy | K | ZN | — |
| 6XJD | Two mouse cGAS catalytic domain binding to human assembled nucleosome | electron microscopy | K, L | ZN | — |
| 6XJD | Two mouse cgas catalytic domain binding to human assembled nucleosome | electron microscopy | K, L | ZN | — |
| 7A08 | Cryoem structure of cgas nucleosome complex | electron microscopy | a | ZN | — |
| 7BUJ | Mcgas bound with pppgpg | x-ray diffraction | A, B | ZN, GTP, MN, 5GP | — |
| 7BUM | Mcgas bound with pgpa | x-ray diffraction | A, B | ZN, A, 5GP | — |
| 7BUQ | Mcgas bound with 23-cgamp | x-ray diffraction | A, B | ZN, 1SY | — |
| 7JO9 | 1:1 cgas-nucleosome complex | electron microscopy | K | ZN | — |
| 7JOA | 2:1 cgas-nucleosome complex | electron microscopy | K | ZN | — |
| 7KXS | Computational design of constitutively active cGAS | x-ray diffraction | A, B | ZN | 5 (best 0.76) |
| 7KXS | Computational design of constitutively active cgas | x-ray diffraction | A, B | ZN | — |
| 7UXW | Structure of ATP and GTP bind to Cyclic GMP AMP synthase (cGAS) through Mg coordination | x-ray diffraction | A, C | ATP, GTP, MG, ZN | — |
| 8G1J | Structure of Ternary Complex of cGAS with dsDNA and Bound ATP and ITP | x-ray diffraction | A, C | ATP, GTP, MG, ZN | 11 (best 0.82) |
| 8GIP | Structure of Ternary Complex of mouse cGAS with dsDNA and Bound ATP: with 10mM Mg2+ and 0.040mM Mn2+ | x-ray diffraction | A, C | ATP, MG, ZN, MN | 12 (best 0.83) |
| 8SJ2 | Structure of ternary complex of cGAS with dsDNA and bound ATP and 2'-dGTP | x-ray diffraction | A, C | ATP, DGT, MG, ZN | 10 (best 0.83) |
| Q8C6L5 | AlphaFold monomer V2.0 prediction for cyclic gmp-AMP synthase (Q8C6L5) | predicted | A | — | — |
Ligands
- ZN · Zinc ion · in 20 records
- ATP · Adenosine-5'-triphosphate · in 4 records
- MG · Magnesium ion · in 4 records
- GTP · Guanosine-5'-triphosphate · in 3 records
- 5GP · Guanosine-5'-monophosphate · in 2 records
- MN · Manganese (II) ion · in 2 records
- 1SY · cGAMP · in 1 record
- A · Adenosine-5'-monophosphate · in 1 record
- A9Y · (3R)-3-[1-(1H-benzimidazol-2-yl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]-2-benzofuran-1(3H)-one · in 1 record
- AE7 · (3R)-3-[1-(3H-1lambda~4~,3-benzothiazol-2-yl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]-2-benzofuran-1(3H)-one · in 1 record
- AEV · 2-(4,5-dichloro-1H-benzimidazol-2-yl)-5-methyl-4-[(1R)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-1,2-dihydro-3H-pyrazol-3-one · in 1 record
- DGT · 2'-deoxyguanosine-5'-triphosphate · in 1 record
Experiment against prediction
- 4K98 chain A against the predicted model Q8C6L5: TM-score 1.00, RMSD 0.45 Å
- 4K98 chain A against the predicted model Q8C6L5: TM-score 1.00, RMSD 0.45 Å
- 4K99 chain A against the predicted model Q8C6L5: TM-score 1.00, RMSD 0.45 Å
- 4K99 chain A against the predicted model Q8C6L5: TM-score 1.00, RMSD 0.45 Å
- 4K9A chain A against the predicted model Q8C6L5: TM-score 1.00, RMSD 0.46 Å
- 4K9A chain A against the predicted model Q8C6L5: TM-score 1.00, RMSD 0.46 Å
- 8SJ2 chain C against the predicted model Q8C6L5: TM-score 1.00, RMSD 0.48 Å
- 7UXW chain C against the predicted model Q8C6L5: TM-score 0.99, RMSD 0.51 Å
- 4K9B chain A against the predicted model Q8C6L5: TM-score 0.99, RMSD 0.52 Å
- 4K9B chain A against the predicted model Q8C6L5: TM-score 0.99, RMSD 0.52 Å
Elsewhere
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