Research workbench
Crystal structure of the transporter chbc, the iic component from the N,N'-diacetylchitobiose-specific phosphotransferase system
Analyse Crystal structure of the transporter chbc, the iic component from the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3QNQ
- Type
- protein
- Length
- 1,732 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pts system, cellobiose-specific iic component
- EC
- 2.7.1.69
- UniProt
- Q72XQ0
- Ligands
- ZDM, NAG, GLC
- Pockets
- 20 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 64% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Pts system, cellobiose-specific iic component (EC 2.7.1.69) | protein | 432 | 63% helix, 3% strand | Q72XQ0 |
| D | Pts system, cellobiose-specific iic component (EC 2.7.1.69) | protein | 436 | 64% helix, 3% strand | Q72XQ0 |
Ligands and binding sites
- ZDM · nonyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside · ligand · 4 copies · chains A, B, C, D
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 8 copies · chains A, B, C, D
- GLC · alpha-D-glucopyranose · sugar · 8 copies · chains A, B, C, D
- CIT · Citric acid · additive · 7 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 480 | 0.84 | 0.91 | 56 | NAG |
| 2 | 453 | 0.84 | 0.91 | 47 | NAG |
| 3 | 420 | 0.84 | 0.92 | 44 | NAG |
| 4 | 455 | 0.83 | 0.90 | 49 | NAG |
| 5 | 154 | 0.69 | 0.89 | 26 | ZDM |
Interfaces
6 interfaces between chains.
- C–D · 2801 Ų buried · 8 hydrogen bonds · protein-protein
- A–B · 2797 Ų buried · 9 hydrogen bonds · protein-protein
- A–D · 476 Ų buried · 4 hydrogen bonds · protein-protein
- B–C · 435 Ų buried · 3 hydrogen bonds · protein-protein
- A–C · 295 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 3QNQ · Crystal structure of the transporter ChbC, the IIC component from the… · 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 Q72XQ0
- Elsewhere: RCSB PDB 3QNQ · PDBe 3QNQ · UniProt Q72XQ0
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.