MolNFT v1 · #56316 · protein
Calcium pump crystal structure with bound BEF3 in the absence of calcium and tg
2ZBE · SARCOPLASMIC/ENDOPLASMIC reticulum calcium ATPase 1: “Calcium pump crystal structure with bound BEF3 in the absence of calcium and tg”. X-ray diffraction, 3 ligands (ACE, BEF, MG), 20 pockets (best druggability 0.84). MolNFT v1…
- PDB
- 2ZBE
- Type
- protein
- Length
- 1,988 residues
- Chains
- 2
- 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
- ACE, BEF, MG
- Pockets
- 20 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 47% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | SARCOPLASMIC/ENDOPLASMIC reticulum calcium ATPase 1 (EC 3.6.3.8) | protein | 994 | 47% helix, 16% strand | P04191 |
Ligands and binding sites
- ACE · Acetyl group · ligand · 2 copies · chains A, B
- BEF · Beryllium trifluoride ion · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 613 | 0.84 | 0.89 | 101 | empty |
| 2 | 1154 | 0.82 | 0.83 | 127 | empty |
| 3 | 766 | 0.79 | 0.83 | 82 | empty |
| 4 | 454 | 0.75 | 0.83 | 60 | empty |
| 5 | 387 | 0.68 | 0.81 | 54 | empty |
Interfaces
1 interface between chains.
- A–B · 279 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 2 covalent, 2 disulfide (covalent ligand, disulfide).
Compared structures
- 2ZBE · Calcium pump crystal structure with bound BeF3 in the absence of calcium and TG · 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 0.88
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 2ZBE · PDBe 2ZBE · UniProt P04191
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.