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Crystal structure of a predicted FERRIC/IRON (III) hydroxymate siderophore substrate binding protein from bacillus anthracis
Analyse Crystal structure of a predicted FERRIC/IRON (III) hydroxymate siderophore… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6ALL
- Type
- protein
- Length
- 575 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- FE(3+)-citrate-binding protein yfmc
- UniProt
- Q81L65
- Pockets
- 1 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | FE(3+)-citrate-binding protein yfmc | protein | 286 | 37% helix, 20% strand | Q81L65 |
| B | FE(3+)-citrate-binding protein yfmc | protein | 289 | 39% helix, 21% strand | Q81L65 |
Ligands and binding sites
- PE3 · 3,6,9,12,15,18,21,24,27,30,33,36,39-tridecaoxahentetracontane-1,41-diol · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 920 | 0.85 | 0.87 | 90 | PE3 |
Interfaces
1 interface between chains.
- A–B · 1186 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 6ALL · Crystal structure of a predicted ferric/iron (III) hydroxymate siderophore substrate… · 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 Q81L65
- Elsewhere: RCSB PDB 6ALL · PDBe 6ALL · UniProt Q81L65 · AlphaFold DB Q81L65
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