MolNFT v1 · #144827 · protein
Crystal structure of the mitochondrial calcium uniporter
6C5W: “Crystal structure of the mitochondrial calcium uniporter”. X-ray diffraction, 1 ligand (CA), 5 pockets (best druggability 0.59). MolNFT v1 #144827 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6C5W
- Type
- protein
- Length
- 736 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Calcium uniporter; Nanobody
- UniProt
- E9DVV4
- Ligands
- CA
- Pockets
- 5 · best druggability 0.59
Structure
x-ray diffraction · 3 distinct chains · 38% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Calcium uniporter | protein | 285 | 42% helix, 14% strand | E9DVV4 |
| B | Calcium uniporter | protein | 217 | 52% helix, 18% strand | E9DVV4 |
| C, E | Nanobody | protein | 117 | 3% helix, 55% strand | — |
Ligands and binding sites
- CA · Calcium ion · metal · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 234 | 0.59 | 0.80 | 21 | empty |
| 2 | 174 | 0.55 | 0.80 | 24 | empty |
| 3 | 224 | 0.51 | 0.76 | 38 | empty |
| 4 | 51 | 0.36 | 0.79 | 14 | empty |
| 5 | 52 | 0.27 | 0.74 | 13 | empty |
Interfaces
5 interfaces between chains.
- A–B · 1346 Ų buried · 9 hydrogen bonds · protein-protein
- B–C · 365 Ų buried · 4 hydrogen bonds · protein-protein
- A–E · 326 Ų buried · 4 hydrogen bonds · protein-protein
- A–C · 74 Ų buried · 0 hydrogen bonds · protein-protein
- C–E · 38 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 6C5W · Crystal structure of the mitochondrial calcium uniporter · 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 E9DVV4
- Elsewhere: RCSB PDB 6C5W · PDBe 6C5W · UniProt E9DVV4
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