MolNFT v1 · #145617 · protein
C-terminal domain truncation of the mycobacterium tuberculosis mechanosensitive channel of large conductance mscl
6CTD · Large-conductance mechanosensitive channel: “C-terminal domain truncation of the mycobacterium tuberculosis mechanosensitive channel of large conductance…”. X-ray diffraction, 1 ligand (AU), 12 pockets (best druggability 0.83).…
- PDB
- 6CTD
- Type
- protein
- Length
- 950 residues
- Chains
- 10
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Large-conductance mechanosensitive channel
- UniProt
- A5U127
- Ligands
- AU
- Pockets
- 12 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 61% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H, I, J | Large-conductance mechanosensitive channel | protein | 95 | 61% helix, 2% strand | A5U127 |
Ligands and binding sites
- AU · Gold ion · metal · 5 copies · chains F, G, B, H, I, E, J
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 645 | 0.83 | 0.87 | 59 | empty |
| 2 | 623 | 0.80 | 0.85 | 61 | empty |
| 3 | 280 | 0.78 | 0.89 | 38 | empty |
| 4 | 341 | 0.75 | 0.85 | 31 | empty |
| 5 | 301 | 0.73 | 0.85 | 31 | empty |
Interfaces
30 interfaces between chains.
- D–E · 1553 Ų buried · 13 hydrogen bonds · protein-protein
- A–B · 1525 Ų buried · 11 hydrogen bonds · protein-protein
- G–H · 1504 Ų buried · 10 hydrogen bonds · protein-protein
- A–E · 1498 Ų buried · 10 hydrogen bonds · protein-protein
- I–J · 1476 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 6CTD · C-terminal domain truncation of the Mycobacterium tuberculosis Mechanosensitive Channel… · the same entry in another collection · chain J against J, TM-score 1.00
- A5U127 · AlphaFold monomer V2.0 prediction for large-conductance mechanosensitive channel (A5U127) · a predicted model of the same protein · chain A against A, TM-score 0.81
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 A5U127
- Elsewhere: RCSB PDB 6CTD · PDBe 6CTD · UniProt A5U127
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