Research workbench
X-ray structure of Fe(III)-bicarbonates-ttfbpa, a ferric ion-binding protein from thermus thermophilus HB8
Analyse X-ray structure of Fe(III)-bicarbonates-ttfbpa, a ferric ion-binding protein… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3WAE
- Type
- protein
- Length
- 617 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.7
- Source
- Thermus thermophilus
- Molecule
- Iron ABC transporter, periplasmic iron-binding protein
- UniProt
- Q5SHV2
- Ligands
- BCT, FE
- Pockets
- 7 · best druggability 0.64
Structure
x-ray diffraction · resolution 1.7 · 2 distinct chains · 46% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Iron ABC transporter, periplasmic iron-binding protein | protein | 309 | 45% helix, 17% strand | Q5SHV2 |
| B | Iron ABC transporter, periplasmic iron-binding protein | protein | 308 | 47% helix, 16% strand | Q5SHV2 |
Ligands and binding sites
- BCT · Bicarbonate ion · ligand · 4 copies · chains A, B
- FE · Fe (III) ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 430 | 0.64 | 0.77 | 52 | BCT |
| 2 | 210 | 0.55 | 0.79 | 35 | empty |
| 3 | 244 | 0.52 | 0.76 | 33 | BCT |
| 4 | 130 | 0.42 | 0.75 | 21 | empty |
| 5 | 106 | 0.42 | 0.77 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 1087 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 3WAE · X-ray structure of FE(III)-bicarbonates-ttfbpa, a ferric ion-binding protein from thermus… · 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 Q5SHV2
- Elsewhere: RCSB PDB 3WAE · PDBe 3WAE · UniProt Q5SHV2
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