UniProt Q8IKG4
1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic (Q8IKG4)
1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic (UniProt Q8IKG4), EC 1.1.1.267: 22 experimental structures and 1 predicted model on GenesisL1, 10 ligands bound, 14 pockets. Binding sites, druggability and experiment…
- UniProt
- Q8IKG4
- Protein
- 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic
- EC
- 1.1.1.267
- Experimental structures
- 22
- Predicted models
- 1
- Ligands
- 10
- Pockets
- 14 · 3 records with a druggable one
Structures
23 records of Q8IKG4 in the MolNFT archive: 22 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 4Y67 | Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue… | x-ray diffraction | A, B | — | — |
| 4Y67 | Structure of plasmodium falciparum dxr in complex with a beta- substituted fosmidomycin analogue… | x-ray diffraction | A, B | — | — |
| 4Y6P | Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue… | x-ray diffraction | A, B | — | — |
| 4Y6P | Structure of plasmodium falciparum dxr in complex with a beta- substituted fosmidomycin analogue… | x-ray diffraction | A, B | — | — |
| 4Y6R | Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue… | x-ray diffraction | A, B | — | — |
| 4Y6R | Structure of plasmodium falciparum dxr in complex with a beta- substituted fosmidomycin analogue… | x-ray diffraction | A, B | — | — |
| 4Y6S | Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue… | x-ray diffraction | A, B | — | — |
| 4Y6S | Structure of plasmodium falciparum dxr in complex with a beta- substituted fosmidomycin analogue… | x-ray diffraction | A, B | — | — |
| 5JAZ | Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue… | x-ray diffraction | A, B | LC5, MN | — |
| 5JAZ | Structure of plasmodium falciparum dxr in complex with a beta- substituted fosmidomycin analogue… | x-ray diffraction | A, B | — | — |
| 5JBI | Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue… | x-ray diffraction | A, B | 6J8, MN | 5 (best 0.80) |
| 5JBI | Structure of plasmodium falciparum dxr in complex with a beta- substituted fosmidomycin analogue… | x-ray diffraction | A, B | — | — |
| 5JC1 | Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue… | x-ray diffraction | A, B | 6JB, MN | 4 (best 0.80) |
| 5JC1 | Structure of plasmodium falciparum dxr in complex with a beta- substituted fosmidomycin analogue… | x-ray diffraction | A, B | — | — |
| 5JMP | Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue… | x-ray diffraction | A, B | LC7, MN, 6LB | — |
| 5JMP | Structure of plasmodium falciparum dxr in complex with a beta- substituted fosmidomycin analogue… | x-ray diffraction | A, B | — | — |
| 5JMW | Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue… | x-ray diffraction | A, B | L50, MN | — |
| 5JMW | Structure of plasmodium falciparum dxr in complex with a beta- substituted fosmidomycin analogue… | x-ray diffraction | A, B | — | — |
| 5JNL | Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue… | x-ray diffraction | A, B | L54, MN | 5 (best 0.79) |
| 5JNL | Structure of plasmodium falciparum dxr in complex with a beta- substituted fosmidomycin analogue… | x-ray diffraction | A, B | — | — |
| 5JO0 | Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue… | x-ray diffraction | A, B | L56, MN, 6LR | — |
| 5JO0 | Structure of plasmodium falciparum dxr in complex with a beta- substituted fosmidomycin analogue… | x-ray diffraction | A, B | — | — |
| Q8IKG4 | AlphaFold monomer V2.0 prediction for 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic… | predicted | A | — | — |
Ligands
- MN · Manganese (II) ion · in 7 records
- 6J8 · [(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(4-methoxyphenyl)pentyl]phosphonic acid · in 1 record
- 6JB · [(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(3-methoxyphenyl)pentyl]phosphonic acid · in 1 record
- 6LB · 4-ethylmorpholine · in 1 record
- 6LR · morpholine · in 1 record
- L50 · [(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(4-methylphenyl)pentyl]phosphonic acid · in 1 record
- L54 · {(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-[4-(trifluoromethyl)phenyl]pentyl}phosphonic acid · in 1 record
- L56 · [(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(3-methylphenyl)pentyl]phosphonic acid · in 1 record
- LC5 · [(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(naphthalen-1-yl)pentyl]phosphonic acid · in 1 record
- LC7 · [(2R)-5-(3-fluorophenyl)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}pentyl]phosphonic acid · in 1 record
Experiment against prediction
- 4Y6R chain B against the predicted model Q8IKG4: TM-score 0.99, RMSD 0.53 Å
- 4Y6R chain B against the predicted model Q8IKG4: TM-score 0.99, RMSD 0.53 Å
- 4Y6S chain B against the predicted model Q8IKG4: TM-score 0.99, RMSD 0.56 Å
- 4Y6S chain B against the predicted model Q8IKG4: TM-score 0.99, RMSD 0.56 Å
- 4Y6P chain B against the predicted model Q8IKG4: TM-score 0.99, RMSD 0.56 Å
- 4Y6P chain B against the predicted model Q8IKG4: TM-score 0.99, RMSD 0.56 Å
- 5JMP chain B against the predicted model Q8IKG4: TM-score 0.99, RMSD 0.65 Å
- 5JMP chain B against the predicted model Q8IKG4: TM-score 0.99, RMSD 0.65 Å
- 5JO0 chain B against the predicted model Q8IKG4: TM-score 0.99, RMSD 0.68 Å
- 5JO0 chain B against the predicted model Q8IKG4: TM-score 0.99, RMSD 0.68 Å
Elsewhere
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