UniProt P40506
Phosphopantothenate--cysteine ligase CAB2 (P40506)
Phosphopantothenate--cysteine ligase CAB2 (UniProt P40506), EC 6.3.2.5: 7 experimental structures and 1 predicted model on GenesisL1, 5 ligands bound, 10 pockets. Binding sites, druggability and experiment against prediction…
- UniProt
- P40506
- Protein
- Phosphopantothenate--cysteine ligase CAB2
- EC
- 6.3.2.5
- Experimental structures
- 7
- Predicted models
- 1
- Ligands
- 5
- Pockets
- 10 · 2 records with a druggable one
Structures
8 records of P40506 in the MolNFT archive: 7 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 6AI8 | Cab2 mutant-H337A | x-ray diffraction | A, B | SO4 | 4 (best 0.83) |
| 6AI8 | CAB2 mutant-H337A | x-ray diffraction | A, B | SO4 | — |
| 6AI9 | CAB2 mutant-H337A complex with phosphopantothenate | x-ray diffraction | A, B | PAZ | — |
| 6AIK | CAB2 mutant H337A complex with phosphopantothenoyl-cmp | x-ray diffraction | A, B | PMT | — |
| 6AIM | Cab2 mutant H337A complex with phosphopantothenate-cysteine | x-ray diffraction | A, B | 9Z3 | — |
| 6AIM | CAB2 mutant H337A complex with phosphopantothenate-cysteine | x-ray diffraction | A, B | 9Z3 | — |
| 6AIP | CAB2 mutant-H337A complex with phosphopantothenoylcystine | x-ray diffraction | A, B | 9Z6 | — |
| P40506 | AlphaFold monomer V2.0 prediction for phosphopantothenate--cysteine ligase CAB2 (P40506) | predicted | A | — | 6 (best 0.78) |
Ligands
- 9Z3 · N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy) butanoyl]-beta-alanyl-L-cysteine · in 2 records
- SO4 · Sulfate ion · in 2 records
- 9Z6 · (5R,12R,17R)-17-amino-12-carboxy-1,1,5-trihydroxy-4,4-dimethyl-6,10-dioxo-2-oxa-14,15-dithia-7,11-diaza-1-phosphaoctadecan-18-oic acid 1-oxide (non-preferred name) · in 1 record
- PAZ · N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy) butanoyl]-beta-alanine · in 1 record
- PMT · Phosphoric acid mono-[3-(3-{[5-(4-amino-2-oxo-2H-pyrimidin-1-yl)-3,4- dihydroxy-tetrahydro-furan-2-ylmethoxy]-hydroxy-phosphoryloxy}-3-oxo-propylcarbamoyl)-3-hydroxy-2,2- dimethyl-propyl] ester · in 1 record
Experiment against prediction
- 6AIM chain A against the predicted model P40506: TM-score 1.00, RMSD 0.33 Å
- 6AIM chain A against the predicted model P40506: TM-score 1.00, RMSD 0.33 Å
- 6AIM chain B against the predicted model P40506: TM-score 1.00, RMSD 0.33 Å
- 6AIM chain B against the predicted model P40506: TM-score 1.00, RMSD 0.33 Å
- 6AIK chain B against the predicted model P40506: TM-score 1.00, RMSD 0.35 Å
- 6AIK chain A against the predicted model P40506: TM-score 1.00, RMSD 0.37 Å
- 6AI9 chain A against the predicted model P40506: TM-score 0.99, RMSD 0.53 Å
- 6AI9 chain B against the predicted model P40506: TM-score 0.99, RMSD 0.59 Å
- 6AIP chain A against the predicted model P40506: TM-score 0.99, RMSD 0.55 Å
- 6AI8 chain B against the predicted model P40506: TM-score 0.99, RMSD 0.57 Å
Elsewhere
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