MolNFT v1 · #83018 · protein
Crystal structure of the recombinant SERCA1A (calcium pump of fast twitch skeletal muscle) in the E1.MG2+ state
3W5B: “Crystal structure of the recombinant SERCA1A (calcium pump of fast twitch skeletal muscle) in the E1.MG2+…”. X-ray diffraction, 4 ligands (PTY, TM1, MG), 12 pockets (best druggability 0.72). MolNFT v1 #83018 on GenesisL1: 3D…
- PDB
- 3W5B
- Type
- protein
- Length
- 997 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERCA1A
- UniProt
- B6CAM1
- Ligands
- PTY, TM1, MG, NA
- Pockets
- 12 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERCA1A | protein | 997 | 45% helix, 16% strand | B6CAM1 |
Ligands and binding sites
- PTY · Phosphatidylethanolamine · ligand · 4 copies · chains A
- TM1 · 2',3'-O-[(1r)-2,4,6-trinitrocyclohexa-2,5-diene-1,1-diyl]adenosine 5'-(dihydrogen phosphate) · ligand · chains A
- MG · Magnesium ion · metal · 2 copies · chains A
- NA · Sodium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 552 | 0.72 | 0.80 | 54 | empty |
| 2 | 700 | 0.70 | 0.77 | 55 | MG, TM1 |
| 3 | 396 | 0.70 | 0.82 | 46 | empty |
| 4 | 206 | 0.68 | 0.86 | 29 | empty |
| 5 | 521 | 0.63 | 0.76 | 58 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 3W5B · Crystal structure of the recombinant SERCA1a (calcium pump of fast twitch skeletal… · 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 3W5B · PDBe 3W5B · UniProt B6CAM1
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