Research workbench
Pantoea stewartii wcef is a glycan biofilm modifying enzyme with a bacteriophage tailspike-like parallel beta-helix fold
Analyse Pantoea stewartii wcef is a glycan biofilm modifying enzyme with a… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6TGF
- Type
- protein
- Length
- 2,042 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Exopolysaccharide biosynthesis protein
- UniProt
- H3REJ8
- Pockets
- 20 · best druggability 0.86
Structure
x-ray diffraction · 3 distinct chains · 8% helix, 44% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| F | Exopolysaccharide biosynthesis protein | protein | 682 | 8% helix, 44% strand | H3REJ8 |
| D | Exopolysaccharide biosynthesis protein | protein | 687 | 8% helix, 45% strand | H3REJ8 |
| E | Exopolysaccharide biosynthesis protein | protein | 673 | 7% helix, 44% strand | H3REJ8 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 42 copies · chains F, D, E
- PG4 · Tetraethylene glycol · additive · 2 copies · chains F, 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, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 553 | 0.86 | 0.92 | 73 | EDO |
| 2 | 618 | 0.81 | 0.86 | 78 | EDO |
| 3 | 751 | 0.74 | 0.79 | 94 | EDO |
| 4 | 436 | 0.73 | 0.82 | 54 | PG4, EDO |
| 5 | 313 | 0.72 | 0.85 | 43 | EDO |
Interfaces
3 interfaces between chains.
- F–E · 5513 Ų buried · 107 hydrogen bonds · protein-protein
- F–D · 5441 Ų buried · 102 hydrogen bonds · protein-protein
- D–E · 5355 Ų buried · 108 hydrogen bonds · protein-protein
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 H3REJ8
- Elsewhere: RCSB PDB 6TGF · PDBe 6TGF · UniProt H3REJ8
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