Research workbench
Enantiopyochelin outer membrane tonb-dependent transporter from pseudomonas fluorescens bound to the ferri-enantiopyochelin
Analyse Enantiopyochelin outer membrane tonb-dependent transporter from pseudomonas… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3QLB
- Type
- protein
- Length
- 1,343 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Enantio-pyochelin receptor
- UniProt
- C5I2D9
- Ligands
- EFE, SO4
- Pockets
- 20 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 4% helix, 57% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Enantio-pyochelin receptor | protein | 673 | 4% helix, 57% strand | C5I2D9 |
| B | Enantio-pyochelin receptor | protein | 670 | 4% helix, 57% strand | C5I2D9 |
Ligands and binding sites
- EFE · Enantio-pyochelin fe(iii) · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
- CIT · Citric acid · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 201 | 0.81 | 0.95 | 38 | empty |
| 2 | 144 | 0.79 | 0.96 | 27 | empty |
| 3 | 103 | 0.77 | 0.97 | 36 | empty |
| 4 | 73 | 0.72 | 0.97 | 24 | empty |
| 5 | 541 | 0.72 | 0.81 | 63 | empty |
Interfaces
1 interface between chains.
- A–B · 532 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 3QLB · Enantiopyochelin outer membrane TonB-dependent transporter from Pseudomonas fluorescens… · 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 C5I2D9
- Elsewhere: RCSB PDB 3QLB · PDBe 3QLB · UniProt C5I2D9
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