UniProt Q3ACS4
CO-methylating acetyl-CoA synthase (Q3ACS4)
CO-methylating acetyl-CoA synthase (UniProt Q3ACS4), EC 2.3.1.169: 15 experimental structures on GenesisL1, 9 ligands bound, 85 pockets. Binding sites, pockets, druggability and 3D structures in GL1X.
- UniProt
- Q3ACS4
- Protein
- CO-methylating acetyl-CoA synthase
- EC
- 2.3.1.169
- Experimental structures
- 15
- Predicted models
- 0
- Ligands
- 9
- Pockets
- 85 · 11 records with a druggable one
Structures
15 records of Q3ACS4 in the MolNFT archive: 15 experimental, 0 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 7NYP | monomeric acetyl-CoA synthase in closed conformation | x-ray diffraction | A, B | NI, SF4, UW8 | 11 (best 0.76) |
| 7NYP | Monomeric acetyl-CoA synthase in closed conformation | x-ray diffraction | A, B | NI, SF4, UW8 | — |
| 7NYS | monomeric acetyl-CoA synthase in closed conformation with carbon monoxide bound to the Ni proximal… | x-ray diffraction | A, B | SF4, UWE, NI, CL, UW8 | 10 (best 0.75) |
| 7NYS | Monomeric acetyl-CoA synthase in closed conformation with carbon monoxide bound to the ni proximal… | x-ray diffraction | A, B | SF4, UWE, NI, CL, UW8 | — |
| 7NZ5 | monomeric acetyl-CoA synthase with Zn at the proximal position of cluster A | x-ray diffraction | A, B | SF4, ZN, NI, UW8 | 14 (best 0.76) |
| 7NZ5 | Monomeric acetyl-CoA synthase with zn at the proximal position of cluster a | x-ray diffraction | A, B | SF4, ZN, NI, UW8 | — |
| 7O0D | monomeric acetyl-CoA synthase in open conformation with methanethiol moiety of CoA bound to nickel… | x-ray diffraction | A | SF4, NI, MEE, SO4 | 7 (best 0.74) |
| 7O0D | Monomeric acetyl-CoA synthase in open conformation with methanethiol moiety of CoA bound to nickel… | x-ray diffraction | A | SF4, NI, MEE, SO4 | — |
| 7ZKJ | CODH/ACS complex of C. hydrogenoformans | x-ray diffraction | B | NI, SF4, NA | 8 (best 0.76) |
| 7ZKK | A216H variant of the CODH/ACS complex of C. hydrogenoformans | x-ray diffraction | B | NI, SF4, NA | 6 (best 0.78) |
| 7ZKV | F231A variant of the CODH/ACS complex of C. hydrogenoformans | x-ray diffraction | B | NI, SF4, NA | 7 (best 0.75) |
| 8CJA | A225L/F231A variant of the CODH/ACS complex of C. hydrogenoformans | x-ray diffraction | B | NI, SF4 | 7 (best 0.77) |
| 8CJB | A268M variant of the CODH/ACS complex of C. hydrogenoformans | x-ray diffraction | B | NA, NI, SF4 | 4 (best 0.78) |
| 8CJC | F515A variant of the CODH/ACS complex of C. hydrogenoformans | x-ray diffraction | B | NI, SF4, NA | 7 (best 0.77) |
| 8CMW | A225L variant of the CODH/ACS complex of C. hydrogenoformans | x-ray diffraction | B | NA, NI, SF4 | 4 (best 0.75) |
Ligands
- NI · Nickel (II) ion · in 15 records
- SF4 · Iron/sulfur cluster · in 15 records
- NA · Sodium ion · in 6 records
- UW8 · 2-[3,8,8,12,12-pentakis(2-hydroxy-2-oxoethyl)-2,7,11-tris(oxidanylidene)-1,4,6,9,10,13-hexaoxa-5$l^{6}-titanaspiro[4.4^{5}.4^{5}]tridecan-3-yl]ethanoic acid · in 6 records
- CL · Chloride ion · in 2 records
- MEE · Methanethiol · in 2 records
- SO4 · Sulfate ion · in 2 records
- UWE · $l^{3}-oxidanylidynemethylnickel · in 2 records
- ZN · Zinc ion · in 2 records
Elsewhere
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