MolNFT v1 · #22457 · protein
Structure of the (SR)CA2+-ATPase CA2-E1-amppcp form
1T5S · SARCOPLASMIC/ENDOPLASMIC reticulum calcium ATPase 1 isoform…: “Structure of the (SR)CA2+-ATPase CA2-E1-amppcp form”. X-ray diffraction, 4 ligands (ACP, CA, MG), 17 pockets (best druggability 0.83). MolNFT v1 #22457 on GenesisL1: 3D…
- PDB
- 1T5S
- 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
- ACP, CA, MG, K
- Pockets
- 17 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 16% 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 | 46% helix, 16% strand | P04191 |
Ligands and binding sites
- ACP · Phosphomethylphosphonic acid adenylate ester · ligand · chains A
- CA · Calcium ion · metal · 2 copies · chains A
- MG · Magnesium ion · metal · chains A
- K · Potassium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1120 | 0.83 | 0.84 | 113 | MG, ACP |
| 2 | 395 | 0.76 | 0.85 | 52 | empty |
| 3 | 393 | 0.68 | 0.81 | 39 | empty |
| 4 | 52 | 0.67 | 0.96 | 19 | empty |
| 5 | 410 | 0.64 | 0.78 | 44 | empty |
Compared structures
- 1T5S · Structure of the (SR)Ca2+-ATPase Ca2-E1-AMPPCP 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 1T5S · PDBe 1T5S · UniProt P04191
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