MolNFT v1 · #168856 · protein
Monomer yeast ATP synthase fo reconstituted in nanodisc with inhibitor of bedaquiline bound
6WTD · ATP synthase subunit 9, mitochondrial: “Monomer yeast ATP synthase fo reconstituted in nanodisc with inhibitor of bedaquiline bound”. Electron microscopy, 20 pockets (best druggability 0.79). MolNFT v1 #168856 on GenesisL1: 3D…
- PDB
- 6WTD
- Type
- protein
- Length
- 1,233 residues
- Chains
- 16
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ATP synthase subunit 9, mitochondrial; ATP synthase protein 8; ATP synthase subunit a…
- UniProt
- P61829, P00856, P00854, P05626, P30902, Q06405, P81450
- Pockets
- 20 · best druggability 0.79
Structure
electron microscopy · 8 distinct chains · 58% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| K, L, N, O, P, Q, S, T | ATP synthase subunit 9, mitochondrial | protein | 74 | 78% helix, 0% strand | P61829 |
| M, R | ATP synthase subunit 9, mitochondrial | protein | 75 | 64% helix, 0% strand | P61829 |
| 8 | ATP synthase protein 8 | protein | 42 | 71% helix, 0% strand | P00856 |
| X | ATP synthase subunit a | protein | 223 | 60% helix, 0% strand | P00854 |
| Z | ATP synthase subunit 4, mitochondrial | protein | 54 | 70% helix, 0% strand | P05626 |
| 7 | ATP synthase subunit D, mitochondrial | protein | 67 | 37% helix, 1% strand | P30902 |
| U | ATP synthase subunit F, mitochondrial | protein | 68 | 34% helix, 0% strand | Q06405 |
| J | ATP synthase subunit J, mitochondrial | protein | 37 | 46% helix, 0% strand | P81450 |
Pockets
20 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1010 | 0.79 | 0.80 | 59 | empty |
| 2 | 515 | 0.76 | 0.83 | 58 | empty |
| 3 | 1142 | 0.75 | 0.77 | 76 | empty |
| 4 | 404 | 0.74 | 0.84 | 61 | empty |
| 5 | 127 | 0.74 | 0.93 | 24 | empty |
Interfaces
29 interfaces between chains.
- S–T · 1557 Ų buried · 7 hydrogen bonds · protein-protein
- P–Q · 1552 Ų buried · 2 hydrogen bonds · protein-protein
- K–T · 1513 Ų buried · 8 hydrogen bonds · protein-protein
- O–P · 1450 Ų buried · 12 hydrogen bonds · protein-protein
- R–S · 1449 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 modified (formylation).
Compared structures
- 6WTD · Monomer yeast ATP synthase Fo reconstituted in nanodisc with inhibitor of Bedaquiline… · the same entry in another collection · chain T against T, 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 P61829
- Every structure of UniProt P00856
- Every structure of UniProt P00854
- Every structure of UniProt P05626
- Every structure of UniProt P30902
- Every structure of UniProt Q06405
- Every structure of UniProt P81450
- Elsewhere: RCSB PDB 6WTD · PDBe 6WTD · UniProt P61829 · UniProt P00856 · UniProt P00854 · UniProt P05626 · UniProt P30902 · UniProt Q06405 · UniProt P81450
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