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Crystal structure of beta-glycosides-binding protein (E117A) of ABC transporter in an open state
Analyse Crystal structure of beta-glycosides-binding protein (E117A) of ABC transporter… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7C71
- Type
- protein
- Length
- 830 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sugar ABC transporter, periplasmic sugar-binding protein
- UniProt
- Q53W80
- Ligands
- SO2, CL, SO3
- Pockets
- 5 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 51% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Sugar ABC transporter, periplasmic sugar-binding protein | protein | 415 | 51% helix, 16% strand | Q53W80 |
Ligands and binding sites
- SO2 · Sulfur dioxide · ligand · 3 copies · chains A, B
- CL · Chloride ion · ion · 3 copies · chains A, B
- SO3 · Sulfite ion · ion · chains A
- PGE · Triethylene glycol · additive · 3 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 999 | 0.84 | 0.85 | 119 | PGE |
| 2 | 227 | 0.56 | 0.78 | 29 | empty |
| 3 | 136 | 0.50 | 0.79 | 18 | empty |
| 4 | 128 | 0.49 | 0.79 | 21 | empty |
| 5 | 207 | 0.47 | 0.74 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 1628 Ų buried · 22 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 7C71 · Crystal structure of beta-glycosides-binding protein (E117A) of ABC transporter in an… · 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 Q53W80
- Elsewhere: RCSB PDB 7C71 · PDBe 7C71 · UniProt Q53W80
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