MolNFT v1 · #155552 · protein
Crystal structure of the CA2+-free and CA2+-bound MICU1-MICU2 complex
6LB7 · Calcium uptake protein 1, mitochondrial: “Crystal structure of the CA2+-free and CA2+-bound MICU1-MICU2 complex”. X-ray diffraction, 1 ligand (CA), 17 pockets (best druggability 0.78). MolNFT v1 #155552 on GenesisL1: 3D structure…
- PDB
- 6LB7
- Type
- protein
- Length
- 1,205 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Calcium uptake protein 1, mitochondrial; Calcium uptake protein 2, mitochondrial
- UniProt
- Q9BPX6, Q8IYU8
- Ligands
- CA
- Pockets
- 17 · best druggability 0.78
Structure
x-ray diffraction · 4 distinct chains · 58% helix, 7% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Calcium uptake protein 1, mitochondrial | protein | 304 | 57% helix, 9% strand | Q9BPX6 |
| B | Calcium uptake protein 2, mitochondrial | protein | 290 | 59% helix, 6% strand | Q8IYU8 |
| C | Calcium uptake protein 1, mitochondrial | protein | 298 | 61% helix, 8% strand | Q9BPX6 |
| D | Calcium uptake protein 2, mitochondrial | protein | 313 | 55% helix, 6% strand | Q8IYU8 |
Ligands and binding sites
- CA · Calcium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1063 | 0.78 | 0.80 | 101 | empty |
| 2 | 504 | 0.70 | 0.80 | 55 | empty |
| 3 | 51 | 0.68 | 0.97 | 14 | empty |
| 4 | 221 | 0.61 | 0.81 | 25 | empty |
| 5 | 158 | 0.60 | 0.84 | 28 | empty |
Interfaces
4 interfaces between chains.
- A–B · 1390 Ų buried · 14 hydrogen bonds · protein-protein
- C–D · 1094 Ų buried · 11 hydrogen bonds · protein-protein
- A–D · 637 Ų buried · 9 hydrogen bonds · protein-protein
- B–C · 465 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 6LB7 · Crystal structure of the Ca2+-free and Ca2+-bound MICU1-MICU2 complex · the same entry in another collection · chain D against D, 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 C against A, TM-score 0.97
- Q8IYU8 · AlphaFold monomer V2.0 prediction for calcium uptake protein 2, mitochondrial (Q8IYU8) · a predicted model of the same protein · chain B against A, TM-score 0.94
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 Q9BPX6
- Every structure of UniProt Q8IYU8
- Elsewhere: RCSB PDB 6LB7 · PDBe 6LB7 · UniProt Q9BPX6 · UniProt Q8IYU8
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