UniProt P04191
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (P04191)
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (UniProt P04191), EC 3.6.3.8: 117 experimental structures and 1 predicted model on GenesisL1, 17 ligands bound, 40 pockets. Binding sites, druggability and experiment against…
- UniProt
- P04191
- Protein
- Sarcoplasmic/endoplasmic reticulum calcium ATPase 1
- EC
- 3.6.3.8
- Experimental structures
- 117
- Predicted models
- 1
- Ligands
- 17
- Pockets
- 40 · 3 records with a druggable one
Structures
118 records of P04191 in the MolNFT archive: 117 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1IWO | Crystal structure of the SR Ca2+-ATPase in the absence of Ca2+ | x-ray diffraction | A, B | — | — |
| 1IWO | Crystal structure of the sr CA2+-ATPase in the absence of CA2+ | x-ray diffraction | A, B | — | — |
| 1KJU | Ca2+-ATPase in the E2 State | electron microscopy | A | — | — |
| 1KJU | CA2+-ATPase in the E2 state | electron microscopy | A | — | — |
| 1SU4 | Crystal structure of calcium ATPase with two bound calcium ions | x-ray diffraction | A | — | — |
| 1SU4 | Crystal structure of calcium ATPase with two bound calcium ions | x-ray diffraction | A | — | — |
| 1T5S | Structure of the (SR)Ca2+-ATPase Ca2-E1-AMPPCP form | x-ray diffraction | A | — | — |
| 1T5S | Structure of the (SR)CA2+-ATPase CA2-E1-amppcp form | x-ray diffraction | A | — | — |
| 1T5T | Structure of the (SR)Ca2+-ATPase Ca2-E1-ADP:AlF4- form | x-ray diffraction | A | — | — |
| 1T5T | Structure of the (SR)CA2+-ATPase CA2-E1-ADP:ALF4- form | x-ray diffraction | A | — | — |
| 1VFP | Crystal structure of the SR CA2+-ATPase with bound AMPPCP | x-ray diffraction | A, B | — | — |
| 1VFP | Crystal structure of the sr CA2+-ATPase with bound amppcp | x-ray diffraction | A, B | — | — |
| 1WPG | Crystal structure of the SR CA2+-ATPase with MGF4 | x-ray diffraction | A, B, C, D | — | — |
| 1WPG | Crystal structure of the sr CA2+-ATPase with MGF4 | x-ray diffraction | A, B, C, D | — | — |
| 1XP5 | Structure Of The (Sr)Ca2+-ATPase E2-AlF4- Form | x-ray diffraction | A | — | — |
| 1XP5 | Structure of the (SR)CA2+-ATPase E2-ALF4- form | x-ray diffraction | A | — | — |
| 2AGV | Crystal structure of the SR CA2+-ATPASE with BHQ and TG | x-ray diffraction | A, B | — | — |
| 2AGV | Crystal structure of the sr CA2+-ATPase with bhq and tg | x-ray diffraction | A, B | — | — |
| 2BY4 | SR Ca(2+)-ATPase in the HnE2 state complexed with the thapsigargin derivative Boc-12ADT. | x-ray diffraction | A | — | — |
| 2BY4 | Sr CA(2+)-ATPase in the HNE2 state complexed with the thapsigargin derivative boc-12ADT. | x-ray diffraction | A | — | — |
| 2C88 | Crystal Structure Of (SR) Calcium-ATPase E2(Tg):AMPPCP form | x-ray diffraction | A | — | — |
| 2C88 | Crystal structure of (sr) calcium-ATPase E2(TG):AMPPCP form | x-ray diffraction | A | — | — |
| 2C8K | Crystal Structure of (SR) Calcium-ATPase E2(Tg) with partially occupied AMPPCP site | x-ray diffraction | A | — | — |
| 2C8K | Crystal structure of (sr) calcium-ATPase E2(TG) with partially occupied amppcp site | x-ray diffraction | A | — | — |
| 2C8L | Crystal Structure of (SR) Calcium-ATPase E2(Tg) form | x-ray diffraction | A | — | — |
| 2C8L | Crystal structure of (sr) calcium-ATPase E2(TG) form | x-ray diffraction | A | — | — |
| 2C9M | Structure of (SR) Calcium-ATPase in the Ca2E1 state solved in a P1 crystal form. | x-ray diffraction | A, B | — | — |
| 2C9M | Structure of (sr) calcium-ATPase in the CA2E1 state solved in a P1 crystal form. | x-ray diffraction | A, B | — | — |
| 2DQS | Crystal structure of the calcium pump with amppcp in the absence of calcium | x-ray diffraction | A | — | — |
| 2DQS | Crystal structure of the calcium pump with amppcp in the absence of calcium | x-ray diffraction | A | — | — |
| 2EAR | P21 crystal of the SR CA2+-ATPase with bound TG | x-ray diffraction | A | — | — |
| 2EAR | P21 crystal of the sr CA2+-ATPase with bound tg | x-ray diffraction | A | — | — |
| 2EAT | Crystal structure of the SR CA2+-ATPASE with bound CPA and TG | x-ray diffraction | A | — | — |
| 2EAT | Crystal structure of the sr CA2+-ATPase with bound cpa and tg | x-ray diffraction | A | — | — |
| 2EAU | Crystal structure of the SR CA2+-ATPASE with bound CPA in the presence of curcumin | x-ray diffraction | A | — | — |
| 2EAU | Crystal structure of the sr CA2+-ATPase with bound cpa in the presence of curcumin | x-ray diffraction | A | — | — |
| 2O9J | Crystal structure of calcium atpase with bound magnesium fluoride and cyclopiazonic acid | x-ray diffraction | A | — | — |
| 2O9J | Crystal structure of calcium ATPase with bound magnesium fluoride and cyclopiazonic acid | x-ray diffraction | A | — | — |
| 2OA0 | Crystal structure of Calcium ATPase with bound ADP and cyclopiazonic acid | x-ray diffraction | A | — | — |
| 2OA0 | Crystal structure of calcium ATPase with bound ADP and cyclopiazonic acid | x-ray diffraction | A | — | — |
| 2VOY | CryoEM model of CopA, the copper transporting ATPase from Archaeoglobus fulgidus | electron microscopy | B, C, D, E, G, H, K, L | — | — |
| 2VOY | Cryoem model of copa, the copper transporting ATPase from archaeoglobus fulgidus | electron microscopy | B, C, D, E, G, H, K, L | — | — |
| 2YFY | SERCA in the HnE2 State Complexed With Debutanoyl Thapsigargin | x-ray diffraction | A | — | — |
| 2YFY | Serca in the HNE2 state complexed with debutanoyl thapsigargin | x-ray diffraction | A | — | — |
| 2ZBD | Crystal Structure of the SR Calcium Pump with Bound Aluminium Fluoride, ADP and Calcium | x-ray diffraction | A | — | — |
| 2ZBD | Crystal structure of the sr calcium pump with bound aluminium fluoride, ADP and calcium | x-ray diffraction | A | — | — |
| 2ZBE | Calcium pump crystal structure with bound BeF3 in the absence of calcium and TG | x-ray diffraction | A, B | — | — |
| 2ZBE | Calcium pump crystal structure with bound BEF3 in the absence of calcium and tg | x-ray diffraction | A, B | — | — |
| 2ZBF | Calcium pump crystal structure with bound BeF3 and TG in the absence of calcium | x-ray diffraction | A | — | — |
| 2ZBF | Calcium pump crystal structure with bound BEF3 and tg in the absence of calcium | x-ray diffraction | A | — | — |
| 2ZBG | Calcium pump crystal structure with bound AlF4 and TG in the absence of calcium | x-ray diffraction | A | — | — |
| 2ZBG | Calcium pump crystal structure with bound ALF4 and tg in the absence of calcium | x-ray diffraction | A | — | — |
| 3AR2 | Calcium pump crystal structure with bound AMPPCP and Ca2+ | x-ray diffraction | A | — | — |
| 3AR2 | Calcium pump crystal structure with bound amppcp and CA2+ | x-ray diffraction | A | — | — |
| 3AR3 | Calcium pump crystal structure with bound ADP and TG | x-ray diffraction | A | — | — |
| 3AR3 | Calcium pump crystal structure with bound ADP and tg | x-ray diffraction | A | — | — |
| 3AR4 | Calcium pump crystal structure with bound ATP and TG in the absence of Ca2+ | x-ray diffraction | A | — | — |
| 3AR4 | Calcium pump crystal structure with bound ATP and tg in the absence of CA2+ | x-ray diffraction | A | — | — |
| 3AR5 | Calcium pump crystal structure with bound TNP-AMP and TG | x-ray diffraction | A | — | — |
| 3AR5 | Calcium pump crystal structure with bound tnp-AMP and tg | x-ray diffraction | A | — | — |
58 records more on the page itself.
Ligands
- PCW · 1,2-dioleoyl-sn-glycero-3-phosphocholine · in 10 records
- K · Potassium ion · in 9 records
- TG1 · Octanoic acid [3S-[3alpha, 3abeta, 4alpha, 6beta, 6abeta, 7beta, 8alpha(z), 9balpha]]-6-(acetyloxy)-2,3, -3A,4,5,6,6A,7,8,9B-decahydro-3,3A-dihydroxy-3,6,9-trimethyl-8-[(2-methyl-1-oxo-2-butenyl)oxy]-2-oxo-4-(1-oxobutoxy)-azuleno[4,5-b]furan-7-yl ester · in 7 records
- CA · Calcium ion · in 6 records
- ACE · Acetyl group · in 5 records
- MG · Magnesium ion · in 5 records
- 128 · Spiro(2,4,6-trinitrobenzene[1,2a]-2O',3O'-methylene-adenine-triphosphate · in 4 records
- ACP · Phosphomethylphosphonic acid adenylate ester · in 4 records
- ALF · Tetrafluoroaluminate ion · in 4 records
- NA · Sodium ion · in 4 records
- 8T8 · (1~{S})-~{N}-[(4-bromophenyl)methyl]-7-(trifluoromethyloxy)-2,3,4,9-tetrahydro-1~{H}-carbazol-1-amine · in 2 records
- SO4 · Sulfate ion · in 2 records
- ADP · Adenosine-5'-diphosphate · in 1 record
- CL · Chloride ion · in 1 record
- OHW · 4-[2-[(2~{R})-2-[3-propyl-6-(trifluoromethyloxy)-1~{H}-indol-2-yl]piperidin-1-yl]ethyl]morpholine · in 1 record
- PTY · Phosphatidylethanolamine · in 1 record
- VN4 · oxido(dioxo)vanadium · in 1 record
Experiment against prediction
- 4YCN chain A against the predicted model P04191: TM-score 0.97, RMSD 2.04 Å
- 4YCN chain A against the predicted model P04191: TM-score 0.97, RMSD 2.04 Å
- 4YCM chain A against the predicted model P04191: TM-score 0.97, RMSD 2.09 Å
- 4YCM chain A against the predicted model P04191: TM-score 0.97, RMSD 2.09 Å
- 4YCL chain A against the predicted model P04191: TM-score 0.96, RMSD 2.12 Å
- 4YCL chain A against the predicted model P04191: TM-score 0.96, RMSD 2.12 Å
- 2EAU chain A against the predicted model P04191: TM-score 0.96, RMSD 2.30 Å
- 2EAU chain A against the predicted model P04191: TM-score 0.96, RMSD 2.30 Å
- 2OA0 chain A against the predicted model P04191: TM-score 0.96, RMSD 2.32 Å
- 2OA0 chain A against the predicted model P04191: TM-score 0.96, RMSD 2.32 Å
Elsewhere
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