Research workbench
Crystal structure of S. thermophilus nfeob E67A bound to GDP.ALF4-
Analyse Crystal structure of S. thermophilus nfeob E67A bound to GDP.ALF4- in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7BWV
- Type
- protein
- Length
- 498 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ferrous iron transport protein B
- UniProt
- Q5M586
- Ligands
- GDP, ALF, MG, K, CL
- Pockets
- 2 · best druggability 0.56
Structure
x-ray diffraction · 2 distinct chains · 51% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ferrous iron transport protein B | protein | 251 | 50% helix, 15% strand | Q5M586 |
| B | Ferrous iron transport protein B | protein | 247 | 51% helix, 15% strand | Q5M586 |
Ligands and binding sites
- GDP · Guanosine-5'-diphosphate · ligand · 2 copies · chains A, B
- ALF · Tetrafluoroaluminate ion · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- K · Potassium ion · metal · 2 copies · chains A, B
- CL · Chloride ion · ion · 2 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A
- EDO · 1,2-ethanediol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 149 | 0.56 | 0.82 | 37 | GDP, ALF, MG, K, CL |
| 2 | 128 | 0.54 | 0.82 | 34 | GDP, ALF, MG, K, CL |
Compared structures
- 7BWV · Crystal structure of S. thermophilus NFeoB E67A bound to GDP.AlF4- · 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 Q5M586
- Elsewhere: RCSB PDB 7BWV · PDBe 7BWV · UniProt Q5M586
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