MolNFT v1 · #99106 · protein
Bacterial sodium channel in high calcium, I222 space group
4LTO · Ion transport protein: “Bacterial sodium channel in high calcium, I222 space group”. X-ray diffraction, 2 ligands (CA, NI), 4 pockets (best druggability 0.78). MolNFT v1 #99106 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 4LTO
- Type
- protein
- Length
- 552 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ion transport protein
- UniProt
- Q0ABW0
- Ligands
- CA, NI
- Pockets
- 4 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 67% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Ion transport protein | protein | 138 | 67% helix, 0% strand | Q0ABW0 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 885 | 0.78 | 0.80 | 66 | empty |
| 2 | 992 | 0.75 | 0.77 | 67 | CA, NI |
| 3 | 76 | 0.49 | 0.83 | 18 | empty |
| 4 | 50 | 0.28 | 0.75 | 9 | empty |
Interfaces
6 interfaces between chains.
- A–B · 1427 Ų buried · 13 hydrogen bonds · protein-protein
- B–C · 1410 Ų buried · 12 hydrogen bonds · protein-protein
- A–D · 1338 Ų buried · 11 hydrogen bonds · protein-protein
- C–D · 1247 Ų buried · 10 hydrogen bonds · protein-protein
- B–D · 62 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4LTO · Bacterial sodium channel in high calcium, I222 space group · the same entry in another collection · chain C against C, 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 Q0ABW0
- Elsewhere: RCSB PDB 4LTO · PDBe 4LTO · UniProt Q0ABW0
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