UniProt P52045
Methylmalonyl-CoA decarboxylase (P52045)
Methylmalonyl-CoA decarboxylase (UniProt P52045): 14 experimental structures and 1 predicted model on GenesisL1, 12 ligands bound, 4 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- P52045
- Protein
- Methylmalonyl-CoA decarboxylase
- Experimental structures
- 14
- Predicted models
- 1
- Ligands
- 12
- Pockets
- 4 · 1 record with a druggable one
Structures
15 records of P52045 in the MolNFT archive: 14 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1EF8 | Crystal structure of methylmalonyl CoA decarboxylase | x-ray diffraction | A, B, C | — | — |
| 1EF8 | Crystal structure of methylmalonyl CoA decarboxylase | x-ray diffraction | A, B, C | — | — |
| 1EF9 | The crystal structure of methylmalonyl CoA decarboxylase complexed with 2S-carboxypropyl CoA | x-ray diffraction | A | — | — |
| 1EF9 | The crystal structure of methylmalonyl CoA decarboxylase complexed with 2S-carboxypropyl CoA | x-ray diffraction | A | — | — |
| 6N92 | Methylmalonyl-CoA decarboxylase in complex with 2-nitronate-propionyl-CoA | x-ray diffraction | A, B, C, D, E, F | KFV, NI, K, KG7 | — |
| 6N92 | Methylmalonyl-CoA decarboxylase in complex with 2-nitronate-propionyl- CoA | x-ray diffraction | A, B, C, D, E, F | KFV, NI, K, KG7 | — |
| 6N93 | Methylmalonyl-CoA decarboxylase in complex with 2-nitronate-propionyl-oxa(dethia)-CoA | x-ray diffraction | A, B, C, D, E, F | KGA, NI, K, KG7 | — |
| 6N93 | Methylmalonyl-CoA decarboxylase in complex with 2-nitronate-propionyl- OXA(DETHIA)-CoA | x-ray diffraction | A, B, C, D, E, F | KGA, NI, K, KG7 | — |
| 6N94 | Methylmalonyl-CoA decarboxylase in complex with 2-nitronate-propionyl- AMINO(DETHIA)-CoA | x-ray diffraction | A, B, C, D, E, F | KGJ, NI, K | — |
| 6N95 | Methylmalonyl-CoA decarboxylase in complex with 2-sulfonate-propionyl-CoA | x-ray diffraction | A, B, C, D, E, F | YXS, YXR, NI, K | — |
| 6N95 | Methylmalonyl-CoA decarboxylase in complex with 2-sulfonate-propionyl- CoA | x-ray diffraction | A, B, C, D, E, F | YXS, YXR, NI, K | — |
| 6N96 | Methylmalonyl-CoA decarboxylase in complex with 2-sulfonate-propionyl- OXA(DETHIA)-CoA | x-ray diffraction | A, B, C, D, E, F | LCV, SO5 | — |
| 6N97 | Methylmalonyl-CoA decarboxylase in complex with 2-sulfonate-propionyl-amino(dethia)-CoA | x-ray diffraction | A, B, C, D, E, F | YZS, KGP, NI | — |
| 6N97 | Methylmalonyl-CoA decarboxylase in complex with 2-sulfonate-propionyl- AMINO(DETHIA)-CoA | x-ray diffraction | A, B, C, D, E, F | YZS, KGP, NI | — |
| P52045 | AlphaFold monomer V2.0 prediction for methylmalonyl-CoA decarboxylase (P52045) | predicted | A | — | 4 (best 0.57) |
Ligands
- NI · Nickel (II) ion · in 9 records
- K · Potassium ion · in 7 records
- KG7 · (2E)-2-(hydroxyimino)propanoic acid · in 4 records
- KFV · [1-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-1-oxidanylidene-propan-2-ylidene]-bis(oxidanidyl)azanium · in 2 records
- KGA · [1-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethoxy]-1-oxidanylidene-propan-2-ylidene]-bis(oxidanidyl)azanium · in 2 records
- KGP · (2R)-sulfonatepropionyl-amino(dethia)-CoA · in 2 records
- YXR · (2R)-sulfonatepropionyl-CoA · in 2 records
- YXS · (2S)-sulfonatepropionyl-CoA · in 2 records
- YZS · (2S)-sulfonatepropionyl-amino(dethia)-CoA · in 2 records
- KGJ · [1-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylamino]-1-oxidanylidene-propan-2-ylidene]-bis(oxidanidyl)azanium · in 1 record
- LCV · (2~{S})-1-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R}, 5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethoxy]-1-oxidanylidene-propane-2-sulfonic acid · in 1 record
- SO5 · (2~{R})-1-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R}, 5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethoxy]-1-oxidanylidene-propane-2-sulfonic acid · in 1 record
Experiment against prediction
- 6N95 chain A against the predicted model P52045: TM-score 1.00, RMSD 0.20 Å
- 6N95 chain A against the predicted model P52045: TM-score 1.00, RMSD 0.20 Å
- 6N96 chain A against the predicted model P52045: TM-score 1.00, RMSD 0.22 Å
- 6N97 chain A against the predicted model P52045: TM-score 1.00, RMSD 0.23 Å
- 6N97 chain A against the predicted model P52045: TM-score 1.00, RMSD 0.23 Å
- 6N94 chain A against the predicted model P52045: TM-score 1.00, RMSD 0.23 Å
- 6N93 chain A against the predicted model P52045: TM-score 1.00, RMSD 0.24 Å
- 6N93 chain A against the predicted model P52045: TM-score 1.00, RMSD 0.24 Å
- 6N92 chain A against the predicted model P52045: TM-score 1.00, RMSD 0.25 Å
- 6N92 chain A against the predicted model P52045: TM-score 1.00, RMSD 0.25 Å
Elsewhere
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