MolNFT v1 · #58658 · protein
Structure of the CA2E1P phosphoenzyme intermediate of the serca CA2+- ATPase
3BA6 · SARCOPLASMIC/ENDOPLASMIC reticulum calcium ATPase 1: “Structure of the CA2E1P phosphoenzyme intermediate of the serca CA2+- ATPase”. X-ray diffraction, 3 ligands (AN2, CA, K), 13 pockets (best druggability 0.83). MolNFT v1 #58658 on…
- PDB
- 3BA6
- 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
- EC
- 3.6.3.8
- UniProt
- P04191
- Ligands
- AN2, CA, K
- Pockets
- 13 · 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 (EC 3.6.3.8) | protein | 994 | 46% helix, 16% strand | P04191 |
Ligands and binding sites
- AN2 · Amp phosphoramidate · ligand · chains A
- CA · Calcium ion · metal · 3 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
13 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1122 | 0.83 | 0.84 | 107 | CA, AN2 |
| 2 | 653 | 0.74 | 0.80 | 66 | empty |
| 3 | 347 | 0.70 | 0.83 | 40 | empty |
| 4 | 489 | 0.63 | 0.76 | 38 | empty |
| 5 | 382 | 0.63 | 0.78 | 41 | empty |
Modifications
Observed in the structure: 1 modified (phosphorylation).
Compared structures
- 3BA6 · Structure of the Ca2E1P phosphoenzyme intermediate of the SERCA Ca2+-ATPase · 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 3BA6 · PDBe 3BA6 · UniProt P04191
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