MolNFT v1 · #168348 · protein
Cryo-EM structure of mitochondrial calcium uniporter holocomplex in low CA2+
6WDN · Calcium uptake protein 2, mitochondrial: “Cryo-EM structure of mitochondrial calcium uniporter holocomplex in low CA2+”. Electron microscopy, 17 pockets (best druggability 0.77). MolNFT v1 #168348 on GenesisL1: 3D structure, binding…
- PDB
- 6WDN
- Type
- protein
- Length
- 1,540 residues
- Chains
- 10
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Calcium uptake protein 2, mitochondrial; Calcium uptake protein 1, mitochondrial…
- UniProt
- Q8IYU8, Q9BPX6, Q9H4I9, Q8NE86
- Pockets
- 17 · best druggability 0.77
Structure
electron microscopy · 10 distinct chains · 62% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Calcium uptake protein 2, mitochondrial | protein | 313 | 58% helix, 5% strand | Q8IYU8 |
| B | Calcium uptake protein 1, mitochondrial | protein | 352 | 51% helix, 5% strand | Q9BPX6 |
| F | Essential mcu regulator, mitochondrial | protein | 51 | 51% helix, 4% strand | Q9H4I9 |
| C | Calcium uniporter protein, mitochondrial | protein | 173 | 72% helix, 0% strand | Q8NE86 |
| D | Essential mcu regulator, mitochondrial | protein | 48 | 48% helix, 4% strand | Q9H4I9 |
| G | Calcium uniporter protein, mitochondrial | protein | 174 | 76% helix, 0% strand | Q8NE86 |
| H | Essential mcu regulator, mitochondrial | protein | 49 | 49% helix, 4% strand | Q9H4I9 |
| I | Calcium uniporter protein, mitochondrial | protein | 160 | 73% helix, 0% strand | Q8NE86 |
| J | Essential mcu regulator, mitochondrial | protein | 46 | 46% helix, 4% strand | Q9H4I9 |
| E | Calcium uniporter protein, mitochondrial | protein | 174 | 71% helix, 0% strand | Q8NE86 |
Pockets
17 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1078 | 0.77 | 0.79 | 94 | empty |
| 2 | 930 | 0.76 | 0.79 | 57 | empty |
| 3 | 451 | 0.73 | 0.82 | 44 | empty |
| 4 | 549 | 0.67 | 0.77 | 62 | empty |
| 5 | 230 | 0.63 | 0.81 | 31 | empty |
Interfaces
23 interfaces between chains.
- G–E · 1878 Ų buried · 12 hydrogen bonds · protein-protein
- C–I · 1738 Ų buried · 13 hydrogen bonds · protein-protein
- A–B · 1439 Ų buried · 13 hydrogen bonds · protein-protein
- C–G · 1417 Ų buried · 12 hydrogen bonds · protein-protein
- I–E · 1149 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 6WDN · Cryo-EM structure of mitochondrial calcium uniporter holocomplex in low Ca2+ · the same entry in another collection · chain E against E, TM-score 1.00
- Q9BPX6 · AlphaFold monomer V2.0 prediction for calcium uptake protein 1, mitochondrial (Q9BPX6) · a predicted model of the same protein · chain B against A, TM-score 0.97
- Q8NE86 · AlphaFold monomer V2.0 prediction for calcium uniporter protein, mitochondrial (Q8NE86) · a predicted model of the same protein · chain I against A, TM-score 0.93
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 Q8IYU8
- Every structure of UniProt Q9BPX6
- Every structure of UniProt Q9H4I9
- Every structure of UniProt Q8NE86
- Elsewhere: RCSB PDB 6WDN · PDBe 6WDN · UniProt Q8IYU8 · UniProt Q9BPX6 · UniProt Q9H4I9 · UniProt Q8NE86
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