Research workbench
Crystal structure of the calcium pump in the E2 state free from exogenous inhibitors
Analyse Crystal structure of the calcium pump in the E2 state free from exogenous… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3W5C
- Type
- protein
- Length
- 994 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERCA1A
- UniProt
- B6CAM1
- Ligands
- PTY, ACE, NA
- Pockets
- 11 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 47% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERCA1A | protein | 994 | 47% helix, 17% strand | B6CAM1 |
Ligands and binding sites
- PTY · Phosphatidylethanolamine · ligand · 5 copies · chains A
- ACE · Acetyl group · ligand · chains A
- NA · Sodium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1171 | 0.80 | 0.81 | 104 | empty |
| 2 | 995 | 0.74 | 0.77 | 75 | PTY |
| 3 | 765 | 0.72 | 0.77 | 65 | empty |
| 4 | 294 | 0.62 | 0.79 | 30 | empty |
| 5 | 261 | 0.61 | 0.80 | 32 | empty |
Modifications
Observed in the structure: 1 covalent, 1 disulfide (covalent ligand, disulfide).
Compared structures
- 3W5C · Crystal structure of the calcium pump in the E2 state free from exogenous inhibitors · the same entry in another collection · chain A against A, TM-score 1.00
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 B6CAM1
- Elsewhere: RCSB PDB 3W5C · PDBe 3W5C · UniProt B6CAM1
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