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Crystal structure of a dual topology fluoride ion channel.
Analyse Crystal structure of a dual topology fluoride ion channel. in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5A43
- Type
- protein
- Length
- 442 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative fluoride ion transporter crcb; Monobodies
- UniProt
- B7LI20
- Ligands
- NA, F
- Pockets
- 3 · best druggability 0.56
Structure
x-ray diffraction · 3 distinct chains · 60% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative fluoride ion transporter crcb | protein | 124 | 82% helix, 0% strand | B7LI20 |
| B | Putative fluoride ion transporter crcb | protein | 126 | 84% helix, 0% strand | B7LI20 |
| C, D | Monobodies | protein | 96 | 0% helix, 63% strand | — |
Ligands and binding sites
- NA · Sodium ion · metal · chains A, B
- F · Fluoride ion · ion · 2 copies · chains A, B
- DMU · Decyl-beta-D-maltopyranoside · additive · 3 copies · chains A, B, D, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 103 | 0.56 | 0.84 | 20 | empty |
| 2 | 109 | 0.51 | 0.82 | 20 | empty |
| 3 | 53 | 0.29 | 0.75 | 14 | empty |
Interfaces
5 interfaces between chains.
- A–B · 1667 Ų buried · 16 hydrogen bonds · protein-protein
- B–C · 530 Ų buried · 1 hydrogen bond · protein-protein
- A–D · 527 Ų buried · 2 hydrogen bonds · protein-protein
- B–D · 400 Ų buried · 1 hydrogen bond · protein-protein
- A–C · 399 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 9 modified (engineered).
Compared structures
- 5A43 · Crystal structure of a dual topology fluoride ion channel. · the same entry in another collection · chain A against A, 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 B7LI20
- Elsewhere: RCSB PDB 5A43 · PDBe 5A43 · UniProt B7LI20
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