Research workbench
Structure of the (SR)CA2+-ATPase CA2-E1-caamppcp form
Analyse Structure of the (SR)CA2+-ATPase CA2-E1-caamppcp form in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3N8G
- Type
- protein
- Length
- 994 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SARCOPLASMIC/ENDOPLASMIC reticulum calcium ATPase 1 isoform serca 1A
- EC
- 3.6.3.8
- UniProt
- B6CAM1
- Ligands
- ACP, CA, K
- Pockets
- 20 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SARCOPLASMIC/ENDOPLASMIC reticulum calcium ATPase 1 isoform serca 1A (EC 3.6.3.8) | protein | 994 | 46% helix, 16% strand | B6CAM1 |
Ligands and binding sites
- ACP · Phosphomethylphosphonic acid adenylate ester · ligand · chains A
- CA · Calcium 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
20 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 926 | 0.85 | 0.87 | 104 | CA, ACP |
| 2 | 345 | 0.74 | 0.86 | 47 | empty |
| 3 | 329 | 0.69 | 0.83 | 39 | empty |
| 4 | 504 | 0.67 | 0.78 | 50 | empty |
| 5 | 322 | 0.60 | 0.78 | 32 | empty |
Compared structures
- 3N8G · Structure of the (SR)Ca2+-ATPase Ca2-E1-CaAMPPCP form · 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 3N8G · PDBe 3N8G · UniProt B6CAM1
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