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Crystal structure of solute-binding protein complexed with unsaturated chondroitin disaccharide with a sulfate group at C-6 position of galnac
Analyse Crystal structure of solute-binding protein complexed with unsaturated… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5GX7
- Type
- protein
- Length
- 1,422 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Extracellular solute-binding protein family 1
- UniProt
- D1AWE0
- Ligands
- NG6, GCD, CA
- Pockets
- 10 · best druggability 0.88
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Extracellular solute-binding protein family 1 | protein | 474 | 46% helix, 16% strand | D1AWE0 |
Ligands and binding sites
- NG6 · 2-acetamido-2-deoxy-6-O-sulfo-beta-D-galactopyranose · ligand · 3 copies · chains A, B, C
- GCD · 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid · ligand · 3 copies · chains A, B, C
- CA · Calcium ion · metal · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1100 | 0.88 | 0.89 | 106 | NG6, GCD |
| 2 | 1187 | 0.86 | 0.87 | 99 | NG6, GCD |
| 3 | 1162 | 0.85 | 0.86 | 103 | NG6, GCD |
| 4 | 312 | 0.76 | 0.88 | 40 | empty |
| 5 | 380 | 0.62 | 0.77 | 50 | empty |
Interfaces
2 interfaces between chains.
- A–B · 956 Ų buried · 16 hydrogen bonds · protein-protein
- B–C · 287 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 5GX7 · Crystal structure of solute-binding protein complexed with unsaturated chondroitin… · 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 D1AWE0
- Elsewhere: RCSB PDB 5GX7 · PDBe 5GX7 · UniProt D1AWE0
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