MolNFT v1 · #168349 · protein
Cryo-EM structure of mitochondrial calcium uniporter holocomplex in high CA2+
6WDO · Calcium uniporter protein, mitochondrial: “Cryo-EM structure of mitochondrial calcium uniporter holocomplex in high CA2+”. Electron microscopy, 1 ligand (CA), 20 pockets (best druggability 0.83). MolNFT v1 #168349 on GenesisL1: 3D…
- PDB
- 6WDO
- Type
- protein
- Length
- 3,645 residues
- Chains
- 20
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Calcium uniporter protein, mitochondrial; Essential mcu regulator, mitochondrial; Calcium…
- UniProt
- Q8NE86, Q9H4I9, Q9BPX6, Q8IYU8
- Ligands
- CA
- Pockets
- 20 · best druggability 0.83
Structure
electron microscopy · 9 distinct chains · 59% helix, 7% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| G, O | Calcium uniporter protein, mitochondrial | protein | 255 | 57% helix, 9% strand | Q8NE86 |
| H, D, L, P, N | Essential mcu regulator, mitochondrial | protein | 51 | 55% helix, 4% strand | Q9H4I9 |
| C, K | Calcium uniporter protein, mitochondrial | protein | 268 | 62% helix, 10% strand | Q8NE86 |
| A, I | Calcium uniporter protein, mitochondrial | protein | 273 | 59% helix, 10% strand | Q8NE86 |
| B, J | Essential mcu regulator, mitochondrial | protein | 53 | 53% helix, 4% strand | Q9H4I9 |
| E, M | Calcium uniporter protein, mitochondrial | protein | 270 | 59% helix, 11% strand | Q8NE86 |
| F | Essential mcu regulator, mitochondrial | protein | 50 | 54% helix, 4% strand | Q9H4I9 |
| Q, S | Calcium uptake protein 1, mitochondrial | protein | 264 | 61% helix, 2% strand | Q9BPX6 |
| R, T | Calcium uptake protein 2, mitochondrial | protein | 287 | 61% helix, 4% strand | Q8IYU8 |
Ligands and binding sites
- CA · Calcium ion · metal · 2 copies · chains G, C, A, E, I, K, O, M
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 899 | 0.83 | 0.85 | 80 | empty |
| 2 | 939 | 0.82 | 0.83 | 91 | empty |
| 3 | 1025 | 0.78 | 0.80 | 94 | empty |
| 4 | 136 | 0.77 | 0.94 | 32 | empty |
| 5 | 730 | 0.76 | 0.81 | 59 | empty |
Interfaces
44 interfaces between chains.
- I–M · 2396 Ų buried · 12 hydrogen bonds · protein-protein
- A–E · 2381 Ų buried · 13 hydrogen bonds · protein-protein
- C–A · 2222 Ų buried · 23 hydrogen bonds · protein-protein
- I–K · 2194 Ų buried · 25 hydrogen bonds · protein-protein
- G–E · 2070 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 6WDO · Cryo-EM structure of mitochondrial calcium uniporter holocomplex in high Ca2+ · the same entry in another collection · chain J against J, 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 Q8NE86
- Every structure of UniProt Q9H4I9
- Every structure of UniProt Q9BPX6
- Every structure of UniProt Q8IYU8
- Elsewhere: RCSB PDB 6WDO · PDBe 6WDO · UniProt Q8NE86 · UniProt Q9H4I9 · UniProt Q9BPX6 · UniProt Q8IYU8
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