MolNFT v1 · #178608 · protein
Cryo-EM structure of bedaquiline-free mycobacterium smegmatis ATP synthase fo region
7JGB · ATP synthase subunit a: “Cryo-EM structure of bedaquiline-free mycobacterium smegmatis ATP synthase fo region”. Electron microscopy, 4 pockets (best druggability 0.84). MolNFT v1 #178608 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7JGB
- Type
- protein
- Length
- 1,022 residues
- Chains
- 12
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ATP synthase subunit a; ATP synthase subunit B; ATP synthase subunit B-delta; ATP…
- UniProt
- A0R206, A0A0D6IV98, A0R203, Q5TIX5
- Pockets
- 4 · best druggability 0.84
Structure
electron microscopy · 6 distinct chains · 85% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| a | ATP synthase subunit a | protein | 207 | 80% helix, 0% strand | A0R206 |
| b | ATP synthase subunit B | protein | 45 | 73% helix, 0% strand | A0A0D6IV98 |
| d | ATP synthase subunit B-delta | protein | 40 | 93% helix, 0% strand | A0R203 |
| 1, 2, 4, 5, 6, 7, 9 | ATP synthase subunit C | protein | 81 | 91% helix, 0% strand | Q5TIX5 |
| 3 | ATP synthase subunit C | protein | 80 | 89% helix, 0% strand | Q5TIX5 |
| 8 | ATP synthase subunit C | protein | 83 | 92% helix, 0% strand | Q5TIX5 |
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 860 | 0.84 | 0.86 | 70 | empty |
| 2 | 1167 | 0.76 | 0.78 | 121 | empty |
| 3 | 158 | 0.64 | 0.85 | 23 | empty |
| 4 | 176 | 0.48 | 0.76 | 23 | empty |
Interfaces
18 interfaces between chains.
- 8–9 · 1576 Ų buried · 5 hydrogen bonds · protein-protein
- 1–9 · 1576 Ų buried · 4 hydrogen bonds · protein-protein
- a–b · 1552 Ų buried · 5 hydrogen bonds · protein-protein
- 7–8 · 1550 Ų buried · 8 hydrogen bonds · protein-protein
- 6–7 · 1526 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 7JGB · Cryo-EM structure of bedaquiline-free Mycobacterium smegmatis ATP synthase FO region · the same entry in another collection · chain 9 against 9, 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 A0R206
- Every structure of UniProt A0A0D6IV98
- Every structure of UniProt A0R203
- Every structure of UniProt Q5TIX5
- Elsewhere: RCSB PDB 7JGB · PDBe 7JGB · UniProt A0R206 · UniProt A0A0D6IV98 · UniProt A0R203 · UniProt Q5TIX5
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