MolNFT v1 · #100866 · protein
Structure of the (SR)CA2+-ATPase mutant E309Q in the CA2-E1-mgamppcp form
4NAB · SARCOPLASMIC/ENDOPLASMIC reticulum calcium ATPase 1: “Structure of the (SR)CA2+-ATPase mutant E309Q in the CA2-E1-mgamppcp form”. X-ray diffraction, 3 ligands (PCW, CA, K), 11 pockets (best druggability 0.75). MolNFT v1 #100866 on…
- PDB
- 4NAB
- Type
- protein
- Length
- 830 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
- PCW, CA, K
- Pockets
- 11 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 52% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SARCOPLASMIC/ENDOPLASMIC reticulum calcium ATPase 1 (EC 3.6.3.8) | protein | 830 | 52% helix, 10% strand | P04191 |
Ligands and binding sites
- PCW · 1,2-dioleoyl-sn-glycero-3-phosphocholine · ligand · chains A
- CA · Calcium ion · metal · 2 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, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 644 | 0.75 | 0.81 | 62 | empty |
| 2 | 809 | 0.73 | 0.78 | 70 | empty |
| 3 | 223 | 0.66 | 0.84 | 25 | empty |
| 4 | 300 | 0.65 | 0.81 | 30 | empty |
| 5 | 160 | 0.52 | 0.80 | 20 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 4NAB · Structure of the (SR)Ca2+-ATPase mutant E309Q in the Ca2-E1-MgAMPPCP form · 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 0.82
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 4NAB · PDBe 4NAB · UniProt P04191
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