UniProt P60752
ATP-dependent lipid A-core flippase (P60752)
ATP-dependent lipid A-core flippase (UniProt P60752), EC 7.5.2.6: 9 experimental structures and 1 predicted model on GenesisL1, 8 ligands bound, 61 pockets. Binding sites, druggability and experiment against prediction (TM-score)…
- UniProt
- P60752
- Protein
- ATP-dependent lipid A-core flippase
- EC
- 7.5.2.6
- Experimental structures
- 9
- Predicted models
- 1
- Ligands
- 8
- Pockets
- 61 · 4 records with a druggable one
Structures
10 records of P60752 in the MolNFT archive: 9 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 3B5W | Crystal Structure of Eschericia coli MsbA | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 3B5W | Crystal structure of eschericia COLI msba | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 7BCW | Structure of msba in salipro with ADP vanadate | electron microscopy | A, B | VO4, ADP, MG, POV | — |
| 7PH2 | Nanodisc reconstituted MsbA in complex with nanobodies, spin-labeled at position A60C | electron microscopy | A, B | EIW, 88T | 16 (best 0.83) |
| 7PH2 | Nanodisc reconstituted msba in complex with nanobodies, spin-labeled at position A60C | electron microscopy | A, B | EIW, 88T | — |
| 7PH3 | AMP-PNP bound nanodisc reconstituted MsbA with nanobodies, spin-labeled at position A60C | electron microscopy | A, B | ANP, MG, 3PE, 88T | 20 (best 0.89) |
| 7PH3 | AMP-pnp bound nanodisc reconstituted msba with nanobodies, spin- labeled at position A60C | electron microscopy | A, B | ANP, MG, 3PE, 88T | — |
| 7PH4 | AMP-PNP bound nanodisc reconstituted MsbA with nanobodies, spin-labeled at position T68C | electron microscopy | A, B | ANP, MG | 20 (best 0.89) |
| 7PH4 | AMP-pnp bound nanodisc reconstituted msba with nanobodies, spin- labeled at position T68C | electron microscopy | A, B | ANP, MG | — |
| P60752 | AlphaFold monomer V2.0 prediction for ATP-dependent lipid a-core flippase (P60752) | predicted | A | — | 5 (best 0.61) |
Ligands
- MG · Magnesium ion · in 5 records
- 88T · (1~{R},4~{R},11~{S},14~{S},19~{Z})-19-[2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]ethylimino]-7,8,17, 18-tetraoxa-1,4,11,14-tetrazatricyclo[12.6.2.2^{4, 11}]tetracosane-6,9,16-trione · in 4 records
- ANP · Phosphoaminophosphonic acid-adenylate ester · in 4 records
- 3PE · 1,2-diacyl-sn-glycero-3-phosphoethanolamine · in 2 records
- EIW · (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl) ethyl]-4-[(2~{R},3~{S},4~{S},5~{R},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},3~{S},4~{S},5~{S}, 6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,5-bis(oxidanyl)oxan-2-yl]oxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-4-[(3~{R})-3-nonanoyloxytetradecanoyl]oxy-5-[[(3~{R})-3-octanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S}, 4~{S},5~{S},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanylnonanoyl]amino]-4-[(3~{R})-3-oxidanylt · in 2 records
- ADP · Adenosine-5'-diphosphate · in 1 record
- POV · (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate · in 1 record
- VO4 · Vanadate ion · in 1 record
Experiment against prediction
- 7PH2 chain B against the predicted model P60752: TM-score 0.90, RMSD 3.05 Å
- 7PH2 chain A against the predicted model P60752: TM-score 0.90, RMSD 3.13 Å
- 7PH2 chain A against the predicted model P60752: TM-score 0.90, RMSD 3.13 Å
- 3B5W chain A against the predicted model P60752: TM-score 0.85, RMSD 3.02 Å
- 3B5W chain A against the predicted model P60752: TM-score 0.85, RMSD 3.02 Å
- 7PH4 chain A against the predicted model P60752: TM-score 0.71, RMSD 4.65 Å
- 7PH4 chain A against the predicted model P60752: TM-score 0.71, RMSD 4.65 Å
- 7PH4 chain B against the predicted model P60752: TM-score 0.71, RMSD 4.57 Å
- 7BCW chain A against the predicted model P60752: TM-score 0.71, RMSD 4.58 Å
- 7PH3 chain B against the predicted model P60752: TM-score 0.71, RMSD 4.63 Å
Elsewhere
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