MolNFT v1 · #174785 · protein
Crystal structure of beta-glycosides-binding protein (W177X) of ABC transporter in a closed state bound to cellobiose
7C6J · Sugar ABC transporter, periplasmic sugar-binding protein: “Crystal structure of beta-glycosides-binding protein (W177X) of ABC transporter in a closed state bound to…”. X-ray diffraction, 5 ligands (SO2, FJO, GLC), 4 pockets (best…
- PDB
- 7C6J
- Type
- protein
- Length
- 831 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, FJO, GLC, BGC, CL
- Pockets
- 4 · best druggability 0.89
Structure
x-ray diffraction · 2 distinct chains · 51% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sugar ABC transporter, periplasmic sugar-binding protein | protein | 415 | 50% helix, 17% strand | Q53W80 |
| B | Sugar ABC transporter, periplasmic sugar-binding protein | protein | 416 | 52% helix, 17% strand | Q53W80 |
Ligands and binding sites
- SO2 · Sulfur dioxide · ligand · 2 copies · chains A, B
- FJO · propane-1,1,1,3-tetrol · ligand · chains A, B
- GLC · alpha-D-glucopyranose · sugar · 2 copies · chains A, B
- BGC · beta-D-glucopyranose · sugar · 2 copies · chains A, B
- CL · Chloride ion · ion · 2 copies · chains A, B
- ACT · Acetate ion · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 949 | 0.89 | 0.90 | 132 | GLC, BGC |
| 2 | 83 | 0.50 | 0.83 | 28 | CL |
| 3 | 85 | 0.38 | 0.77 | 12 | empty |
| 4 | 57 | 0.29 | 0.75 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 791 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 7C6J · Crystal structure of beta-glycosides-binding protein (W177X) of ABC transporter in a… · 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 7C6J · PDBe 7C6J · UniProt Q53W80
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