Research workbench
Crystal structure of the putative fluoride ion transporter crcb BAB1_1389 from brucella abortus
Analyse Crystal structure of the putative fluoride ion transporter crcb BAB1_1389 from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7TJ1
- Type
- protein
- Length
- 526 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative fluoride ion transporter crcb
- UniProt
- Q2YQP2
- Ligands
- F
- Pockets
- 3 · best druggability 0.87
Structure
x-ray diffraction · 3 distinct chains · 49% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Putative fluoride ion transporter crcb | protein | 131 | 50% helix, 24% strand | Q2YQP2 |
| C | Putative fluoride ion transporter crcb | protein | 131 | 50% helix, 25% strand | Q2YQP2 |
| D | Putative fluoride ion transporter crcb | protein | 133 | 49% helix, 26% strand | Q2YQP2 |
Ligands and binding sites
- F · Fluoride ion · ion · 2 copies · chains B, C
- EDO · 1,2-ethanediol · additive · 4 copies · chains A, D, B, C
- FMT · Formic acid · additive · 4 copies · chains A, B, C, D
- ACT · Acetate ion · additive · chains C, D
- PEG · Di(hydroxyethyl)ether · additive · chains D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1196 | 0.87 | 0.88 | 137 | FMT, F, ACT, PEG |
| 2 | 86 | 0.40 | 0.78 | 21 | empty |
| 3 | 103 | 0.40 | 0.77 | 20 | empty |
Interfaces
6 interfaces between chains.
- B–C · 1708 Ų buried · 25 hydrogen bonds · protein-protein
- A–D · 1705 Ų buried · 24 hydrogen bonds · protein-protein
- A–B · 380 Ų buried · 8 hydrogen bonds · protein-protein
- C–D · 277 Ų buried · 4 hydrogen bonds · protein-protein
- A–C · 65 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 modified (engineered).
Compared structures
- 7TJ1 · Crystal Structure of the Putative Fluoride Ion Transporter CrcB Bab1_1389 from Brucella… · 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 Q2YQP2
- Elsewhere: RCSB PDB 7TJ1 · PDBe 7TJ1 · UniProt Q2YQP2
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