UniProt Q8Y5E4
Diadenylate cyclase (Q8Y5E4)
Diadenylate cyclase (UniProt Q8Y5E4), EC 2.7.7.85: 23 experimental structures and 1 predicted model on GenesisL1, 23 ligands bound, 58 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- Q8Y5E4
- Protein
- Diadenylate cyclase
- EC
- 2.7.7.85
- Experimental structures
- 23
- Predicted models
- 1
- Ligands
- 23
- Pockets
- 58 · 1 record with a druggable one
Structures
24 records of Q8Y5E4 in the MolNFT archive: 23 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 4RV7 | Characterization of an essential diadenylate cyclase | x-ray diffraction | A, B, C, D | ATP, MG | 11 (best 0.55) |
| 4RV7 | Characterization of an essential diadenylate cyclase | x-ray diffraction | A, B, C, D | — | — |
| 6HVL | CdaA complex with c-di-AMP and AMP | x-ray diffraction | A, B | 2BA, CO, PO4, AMP | 2 (best 0.37) |
| 6HVL | Cdaa complex with C-di-AMP and AMP | x-ray diffraction | A, B | 2BA, CO, PO4, AMP | — |
| 6HVM | Structural characterization of CdaA-APO | x-ray diffraction | A, B | GLC, FRU, CL | 3 (best 0.35) |
| 6HVM | Structural characterization of cdaa-apo | x-ray diffraction | A, B | GLC, FRU, CL | — |
| 6HVN | CdaA-APO Y187A Mutant | x-ray diffraction | A, B | GLC, FRU, CL | 3 (best 0.34) |
| 6HVN | Cdaa-apo Y187A mutant | x-ray diffraction | A, B | GLC, FRU, CL | — |
| 8C4J | CdaA-compound 4 complex | x-ray diffraction | A, B | TI5, CL | 3 (best 0.37) |
| 8C4M | CdaA-Adenosine complex | x-ray diffraction | A, B | ADN, CL | 2 (best 0.39) |
| 8C4N | CdaA-AMP complex | x-ray diffraction | A, B | AMP, NA, CL | 2 (best 0.33) |
| 8C4O | CdaA-ATP complex | x-ray diffraction | A, B | MN, ATP, CL, MG | 4 (best 0.38) |
| 8C4P | CdaA-compound 7 complex | x-ray diffraction | A, B | TJ9, CL | 3 (best 0.49) |
| 8C4Q | CdaA-Apo | x-ray diffraction | A, B | CL | 2 (best 0.35) |
| 8C4R | CdaA-adenine complex | x-ray diffraction | A, B | ADE, CL | 2 (best 0.38) |
| 8S45 | CdaA-E05 complex | x-ray diffraction | A, B | G3Y | 2 (best 0.35) |
| 8S46 | CdaA-E01 complex | x-ray diffraction | A, B | NA, F06 | 3 (best 0.34) |
| 8S47 | CdaA-D07 complex | x-ray diffraction | A, B | 47U, CL | 2 (best 0.35) |
| 8S48 | CdaA-C11 complex | x-ray diffraction | A, B | 4AQ | 2 (best 0.33) |
| 8S49 | CdaA-B06 complex | x-ray diffraction | A, B | NA, 45Y | 4 (best 0.35) |
| 8S4A | CdaA-B04 complex | x-ray diffraction | A, B | AJO, CL | 3 (best 0.37) |
| 8S4B | CdaA-C08 complex | x-ray diffraction | A, B | 8G2 | 2 (best 0.35) |
| 8S4C | CdaA-H04 complex | x-ray diffraction | A, B | DZA | 3 (best 0.38) |
| Q8Y5E4 | AlphaFold monomer V2.0 prediction for diadenylate cyclase (Q8Y5E4) | predicted | A | — | — |
Ligands
- CL · Chloride ion · in 13 records
- FRU · beta-D-fructofuranose · in 4 records
- GLC · alpha-D-glucopyranose · in 4 records
- AMP · Adenosine monophosphate · in 3 records
- NA · Sodium ion · in 3 records
- 2BA · (2r,3r,3as,5r,7ar,9r,10r,10as,12r,14ar)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-D:3', 2'-J][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5, 10,12-tetrol 5,12-dioxide · in 2 records
- ATP · Adenosine-5'-triphosphate · in 2 records
- CO · Cobalt (II) ion · in 2 records
- MG · Magnesium ion · in 2 records
- PO4 · Phosphate ion · in 2 records
- 45Y · 2-(4-fluorophenyl)acetohydrazide · in 1 record
- 47U · N-(pyridin-2-yl)-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)acetamide · in 1 record
- 4AQ · 2-(1H-indol-3-yl)-N-[(1-methyl-1H-pyrrol-2-yl) methyl]ethanamine · in 1 record
- 8G2 · (4-methoxycarbonylphenyl)methylazanium · in 1 record
- ADE · Adenine · in 1 record
- ADN · Adenosine · in 1 record
- AJO · 2-[cyanomethyl(methyl)amino]-N-(6-methylpyridin-2-yl)ethanamide · in 1 record
- DZA · Daminozide · in 1 record
- F06 · 2-chlorobenzyl carbamimidothioate · in 1 record
- G3Y · (1~{R},2~{S},3~{S},4~{R},5~{S})-2-azanyl-4-phenylsulfanyl-6,8-dioxabicyclo[3.2.1]octan-3-ol · in 1 record
- MN · Manganese (II) ion · in 1 record
- TI5 · 5-methylpyrimidin-4-amine · in 1 record
- TJ9 · ~{N}-[5-(2-azanyl-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]ethanamide · in 1 record
Experiment against prediction
- 8S4C chain A against the predicted model Q8Y5E4: TM-score 1.00, RMSD 0.24 Å
- 8C4N chain A against the predicted model Q8Y5E4: TM-score 1.00, RMSD 0.24 Å
- 8S49 chain A against the predicted model Q8Y5E4: TM-score 1.00, RMSD 0.26 Å
- 8C4O chain A against the predicted model Q8Y5E4: TM-score 1.00, RMSD 0.26 Å
- 8S4B chain A against the predicted model Q8Y5E4: TM-score 1.00, RMSD 0.26 Å
- 8S4A chain A against the predicted model Q8Y5E4: TM-score 1.00, RMSD 0.29 Å
- 8S46 chain A against the predicted model Q8Y5E4: TM-score 1.00, RMSD 0.30 Å
- 8S47 chain A against the predicted model Q8Y5E4: TM-score 0.99, RMSD 0.34 Å
- 8S45 chain A against the predicted model Q8Y5E4: TM-score 0.99, RMSD 0.34 Å
- 8C4O chain B against the predicted model Q8Y5E4: TM-score 0.99, RMSD 0.34 Å
Elsewhere
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