UniProt Q8N884
Cyclic GMP-AMP synthase (Q8N884)
Cyclic GMP-AMP synthase (UniProt Q8N884), EC 2.7.7.86: 75 experimental structures and 1 predicted model on GenesisL1, 39 ligands bound, 26 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- Q8N884
- Protein
- Cyclic GMP-AMP synthase
- EC
- 2.7.7.86
- Experimental structures
- 75
- Predicted models
- 1
- Ligands
- 39
- Pockets
- 26 · 5 records with a druggable one
Structures
76 records of Q8N884 in the MolNFT archive: 75 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 4KM5 | X-ray crystal structure of human cyclic GMP-AMP synthase (cGAS) | x-ray diffraction | A | — | — |
| 4KM5 | X-ray crystal structure of human cyclic gmp-AMP synthase (cgas) | x-ray diffraction | A | — | — |
| 4LEV | Structure of human cGAS | x-ray diffraction | A, B | — | — |
| 4LEV | Structure of human cgas | x-ray diffraction | A, B | — | — |
| 4LEW | Structure of human cGAS | x-ray diffraction | B, A | — | — |
| 4LEW | Structure of human cgas | x-ray diffraction | B, A | — | — |
| 4MKP | Crystal structure of human cGAS apo form | x-ray diffraction | A | — | — |
| 4MKP | Crystal structure of human cgas apo form | x-ray diffraction | A | — | — |
| 4O67 | Human cyclic GMP-AMP synthase (cGAS) in complex with GAMP | x-ray diffraction | A, B | — | — |
| 4O67 | Human cyclic gmp-AMP synthase (cgas) in complex with gamp | x-ray diffraction | A, B | — | — |
| 4O68 | Structure of human cyclic GMP-AMP synthase (cGAS) | x-ray diffraction | A | — | — |
| 4O68 | Structure of human cyclic gmp-AMP synthase (cgas) | x-ray diffraction | A | — | — |
| 4O69 | Human cyclic GMP-AMP synthase (cGAS) in complex with sulfate ion | x-ray diffraction | A | — | — |
| 4O69 | Human cyclic gmp-AMP synthase (cgas) in complex with sulfate ion | x-ray diffraction | A | — | — |
| 5V8O | Discovery of a high affinity inhibitor of cgas | x-ray diffraction | A, B | ZN, 8ZM | — |
| 5VDO | Human cyclic gmp-AMP synthase (cgas) in complex with 2',2'-cgamp | x-ray diffraction | A, B | ZN, 1YC | — |
| 5VDP | Human cyclic gmp-AMP synthase (cgas) in complex with 2',3'-cgamp | x-ray diffraction | A, B | ZN, SO4, 1SY | — |
| 5VDQ | Human cyclic gmp-AMP synthase (cgas) in complex with 2',5'-gpap | x-ray diffraction | A, B | ZN, 9BG | — |
| 5VDR | Human cyclic GMP-AMP synthase (cGAS) in complex with 3',3'-cdIMP | x-ray diffraction | A, B | ZN, 9B7 | — |
| 5VDR | Human cyclic gmp-AMP synthase (cgas) in complex with 3',3'-cdimp | x-ray diffraction | A, B | ZN, 9B7 | — |
| 5VDS | Human cyclic gmp-AMP synthase (cgas) in complex with 3',3'-cdump | x-ray diffraction | A, B | ZN, 9BJ | — |
| 5VDT | Human cyclic gmp-AMP synthase (cgas) in complex with 3',3'-cgamp | x-ray diffraction | A, B | ZN, 4BW | — |
| 5VDU | Human cyclic gmp-AMP synthase (cgas) in complex with compound F2 | x-ray diffraction | A, B | ZN, 9BS | — |
| 5VDV | Human cyclic GMP-AMP synthase (cGAS) in complex with Compound F3 | x-ray diffraction | A, B | ZN, 9BV, SO4 | — |
| 5VDV | Human cyclic gmp-AMP synthase (cgas) in complex with compound F3 | x-ray diffraction | A, B | ZN, 9BV, SO4 | — |
| 5VDW | Human cyclic gmp-AMP synthase (cgas) in complex with compound F1 | x-ray diffraction | A, B | ZN, 9BY | — |
| 6CT9 | Structure of the human cgas-DNA complex | x-ray diffraction | A | ZN | — |
| 6CTA | Structure of the human cGAS-DNA complex with ATP | x-ray diffraction | A | ZN, MG, ATP | — |
| 6CTA | Structure of the human cgas-DNA complex with ATP | x-ray diffraction | A | ZN, MG, ATP | — |
| 6EDB | Crystal structure of SRY.hcGAS-21bp dsDNA complex | x-ray diffraction | A, B | ZN | — |
| 6EDB | Crystal structure of SRY.HCGAS-21BP dsdna complex | x-ray diffraction | A, B | ZN | — |
| 6EDC | Hcgas-16BP dsdna complex | x-ray diffraction | A | ZN | — |
| 6LRC | Human cGAS catalytic domain bound with the inhibitor PF-06928215 | x-ray diffraction | B, A | KHM, ZN | — |
| 6LRC | Human cgas catalytic domain bound with the inhibitor pf-06928215 | x-ray diffraction | B, A | KHM, ZN | — |
| 6LRE | Human cgas catalytic domain bound with compound 3 | x-ray diffraction | A, B | ZN, EQL | — |
| 6LRI | Human cGAS catalytic domain bound with compound 17 | x-ray diffraction | A, B | EQR, ZN | — |
| 6LRI | Human cgas catalytic domain bound with compound 17 | x-ray diffraction | A, B | EQR, ZN | — |
| 6LRJ | Human cgas catalytic domain bound with compound 23 | x-ray diffraction | A, B | EQX, ZN | — |
| 6LRK | Human cGAS catalytic domain bound with compound 40 | x-ray diffraction | A, B | ER6, ZN | — |
| 6LRK | Human cgas catalytic domain bound with compound 40 | x-ray diffraction | A, B | ER6, ZN | — |
| 6LRL | Human cGAS catalytic domain bound with compound s2 | x-ray diffraction | B, A | ZN, ER9 | — |
| 6LRL | Human cgas catalytic domain bound with compound S2 | x-ray diffraction | B, A | ZN, ER9 | — |
| 6MJU | Human cgas catalytic domain bound with the inhibitor G108 | x-ray diffraction | A | JUM, ZN | — |
| 6MJW | Human cgas catalytic domain bound with the inhibitor G150 | x-ray diffraction | A | ZN, JUJ | — |
| 6MJX | Human cgas catalytic domain bound with cgamp | x-ray diffraction | A | 1SY, ZN | — |
| 6NAO | Discovery of a high affinity inhibitor of cGAS | x-ray diffraction | A, B | ZN, KHM | — |
| 6NAO | Discovery of a high affinity inhibitor of cgas | x-ray diffraction | A, B | ZN, KHM | — |
| 6NFG | CYCLIC GMP-AMP SYNTHASE in complex with compound 16 inhibitor… | x-ray diffraction | A, B | ZN, KKP | — |
| 6NFG | Cyclic gmp-AMP synthase in complex with compound 16 inhibitor: 7… | x-ray diffraction | A, B | ZN, KKP | — |
| 6NFO | Cyclic gmp-AMP synthase in complex with compound 20 inhibitor: 7… | x-ray diffraction | A, B | ZN, KKM | — |
| 6O47 | Human cgas core domain (K427E/K428E) bound with ru-521 | x-ray diffraction | A | ZN, LLS, AEV | — |
| 6Y5D | Structure of human cGAS (K394E) bound to the nucleosome | electron microscopy | K, L | PTD, ZN | — |
| 6Y5D | Structure of human cgas (K394E) bound to the nucleosome | electron microscopy | K, L | PTD, ZN | — |
| 6Y5E | Structure of human cgas (K394E) bound to the nucleosome (focused refinement of cgas-ncp subcomplex) | electron microscopy | K | ZN, PTD | — |
| 7C0M | Human cgas-nucleosome complex | electron microscopy | K, k | ZN | — |
| 7CCQ | Structure of the 1:1 cGAS-nucleosome complex | electron microscopy | K | — | 5 (best 0.76) |
| 7CCQ | Structure of the 1:1 cgas-nucleosome complex | electron microscopy | K | — | — |
| 7CCR | Structure of the 2:2 cgas-nucleosome complex | electron microscopy | K, V | — | — |
| 7FTI | Crystal Structure of human cyclic GMP-AMP synthase in complex with… | x-ray diffraction | A | ZN, YMI | — |
| 7FTP | Crystal Structure of human cyclic GMP-AMP synthase in complex with… | x-ray diffraction | A | ZN, YQ8 | — |
16 records more on the page itself.
Ligands
- ZN · Zinc ion · in 57 records
- ATP · Adenosine-5'-triphosphate · in 4 records
- KHM · (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid · in 4 records
- MG · Magnesium ion · in 4 records
- SO4 · Sulfate ion · in 4 records
- PTD · Pentanedial · in 3 records
- 1SY · cGAMP · in 2 records
- 9B7 · 3',3'-cdIMP · in 2 records
- 9BV · tetrazolo[5,1-b]quinazolin-9-ol · in 2 records
- EQR · 3-[5-(2-hydroxy-2-oxoethyl)-3-oxidanylidene-[1,2, 4]triazino[2,3-a]benzimidazol-2-yl]propanoic acid · in 2 records
- ER6 · (3R)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxylic acid · in 2 records
- ER9 · 3-[[5-(1,2,4-triazol-4-yl)-4H-1,2,4-triazol-3-yl]carbonylamino]benzoic acid · in 2 records
- JUJ · 1-[9-(6-aminopyridin-3-yl)-6,7-dichloro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one · in 2 records
- KKP · 7-hydroxy-N-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide · in 2 records
- PO4 · Phosphate ion · in 2 records
- YM9 · (5M)-5-(2-chloro-5-fluoro-4-methylphenyl)-1H-benzimidazole-7-carboxylic acid · in 2 records
- YPU · 5-bromo-N-{[(5P)-2-fluoro-5-(1-methyl-1H-pyrazol-4-yl)phenyl]methyl}-2-hydroxybenzamide · in 2 records
- 1YC · 2-amino-9-[(1R,3R,6R,8R,9R,11S,14R,16R,17R,18R)-16-(6-amino-9H-purin-9-yl)-3,11,17,18-tetrahydroxy-3,11-dioxido-2,4,7,10,12,15-hexaoxa-3,11-diphosphatricyclo[12.2.1.1~6,9~]octadec-8-yl]-1,9-dihydro-6H-purin-6-one · in 1 record
- 4BW · 2-amino-9-[(2r,3r,3as,5r,7ar,9r,10r,10as,12r,14ar)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-D:3',2'-J][1,3,7,9, 2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one · in 1 record
- 8ZM · 5-phenyltetrazolo[1,5-a]pyrimidin-7-ol · in 1 record
- 9BG · 2',5'-GpAp · in 1 record
- 9BJ · 3',3'-cdump · in 1 record
- 9BS · 2-(pyridin-2-yl)pyrimidine · in 1 record
- 9BY · [2-(1,3-thiazol-4-yl)-1H-benzimidazol-1-yl]acetic acid · 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
- EQL · 1,3-bis(oxidanylidene)benzo[de]isoquinoline-6,7-dicarboxylic acid · in 1 record
- EQX · 4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl) hydrazinyl]-4-oxidanylidene-butanoic acid · in 1 record
- JUM · 1-[6,7-dichloro-9-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one · in 1 record
- KKM · 7-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide · in 1 record
- LLS · (3~{S})-3-[1-[4,5-bis(chloranyl)-1~{H}-benzimidazol-2-yl]-3-methyl-5-oxidanyl-pyrazol-4-yl]-3~{H}-2-benzofuran-1-one · in 1 record
Experiment against prediction
- 6CTA chain A against the predicted model Q8N884: TM-score 0.99, RMSD 0.72 Å
- 6CTA chain A against the predicted model Q8N884: TM-score 0.99, RMSD 0.72 Å
- 6CT9 chain A against the predicted model Q8N884: TM-score 0.99, RMSD 0.83 Å
- 7FTR chain A against the predicted model Q8N884: TM-score 0.99, RMSD 0.87 Å
- 6EDC chain A against the predicted model Q8N884: TM-score 0.99, RMSD 0.88 Å
- 5VDQ chain B against the predicted model Q8N884: TM-score 0.98, RMSD 0.98 Å
- 6NFO chain A against the predicted model Q8N884: TM-score 0.98, RMSD 1.00 Å
- 6MJX chain A against the predicted model Q8N884: TM-score 0.98, RMSD 1.10 Å
- 5VDT chain B against the predicted model Q8N884: TM-score 0.98, RMSD 1.04 Å
- 5VDO chain B against the predicted model Q8N884: TM-score 0.98, RMSD 1.07 Å
Elsewhere
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