MolNFT v1 · #22458 · protein
Structure of the (SR)CA2+-ATPase CA2-E1-ADP:ALF4- form
1T5T · SARCOPLASMIC/ENDOPLASMIC reticulum calcium ATPase 1 isoform…: “Structure of the (SR)CA2+-ATPase CA2-E1-ADP:ALF4- form”. X-ray diffraction, 5 ligands (ALF, ADP, CA), 18 pockets (best druggability 0.83). MolNFT v1 #22458 on GenesisL1…
- PDB
- 1T5T
- Type
- protein
- Length
- 994 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SARCOPLASMIC/ENDOPLASMIC reticulum calcium ATPase 1 isoform SERCA1A
- EC
- 3.6.3.8
- UniProt
- P04191
- Ligands
- ALF, ADP, CA, MG, K
- Pockets
- 18 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 47% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SARCOPLASMIC/ENDOPLASMIC reticulum calcium ATPase 1 isoform SERCA1A (EC 3.6.3.8) | protein | 994 | 47% helix, 17% strand | P04191 |
Ligands and binding sites
- ALF · Tetrafluoroaluminate ion · ligand · chains A
- ADP · Adenosine-5'-diphosphate · ligand · chains A
- CA · Calcium ion · metal · 2 copies · chains A
- MG · Magnesium ion · metal · 2 copies · chains A
- K · Potassium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
18 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1101 | 0.83 | 0.84 | 105 | ALF, MG, ADP |
| 2 | 384 | 0.74 | 0.85 | 48 | empty |
| 3 | 363 | 0.69 | 0.82 | 40 | empty |
| 4 | 105 | 0.65 | 0.89 | 29 | empty |
| 5 | 425 | 0.60 | 0.75 | 34 | empty |
Compared structures
- 1T5T · Structure of the (SR)Ca2+-ATPase Ca2-E1-ADP:AlF4- form · the same entry in another collection · chain A against A, TM-score 1.00
- P04191 · AlphaFold monomer V2.0 prediction for SARCOPLASMIC/ENDOPLASMIC reticulum calcium ATPase 1… · a predicted model of the same protein · chain A against A, TM-score 0.70
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P04191
- Elsewhere: RCSB PDB 1T5T · PDBe 1T5T · UniProt P04191
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