MolNFT v1 · #93417 · protein
E1 structure of the (sr) CA2+-ATPase in complex with sarcolipin
4H1W · SERCA1A: “E1 structure of the (sr) CA2+-ATPase in complex with sarcolipin”. X-ray diffraction, 3 ligands (ACP, MG, K), 11 pockets (best druggability 0.78). MolNFT v1 #93417 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 4H1W
- Type
- protein
- Length
- 1,016 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERCA1A; Sarcolipin
- EC
- 3.6.3.8
- UniProt
- B6CAM1, P42532
- Ligands
- ACP, MG, K
- Pockets
- 11 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 48% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERCA1A (EC 3.6.3.8) | protein | 985 | 47% helix, 17% strand | B6CAM1 |
| B | Sarcolipin | protein | 31 | 90% helix, 0% strand | P42532 |
Ligands and binding sites
- ACP · Phosphomethylphosphonic acid adenylate ester · ligand · chains A
- MG · Magnesium 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
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 | 555 | 0.78 | 0.84 | 57 | empty |
| 2 | 483 | 0.74 | 0.82 | 56 | empty |
| 3 | 524 | 0.69 | 0.79 | 55 | empty |
| 4 | 247 | 0.67 | 0.84 | 29 | empty |
| 5 | 681 | 0.66 | 0.75 | 59 | MG, ACP |
Interfaces
1 interface between chains.
- A–B · 1243 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
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
- Every structure of UniProt P42532
- Elsewhere: RCSB PDB 4H1W · PDBe 4H1W · UniProt B6CAM1 · UniProt P42532
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