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Crystal structure of a FIMH*DSG complex from E.COLI F18 with bound dimannoside MAN(ALPHA1-3)MAN in space group P21
Analyse Crystal structure of a FIMH*DSG complex from E.COLI F18 with bound dimannoside… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6GTZ
- Type
- protein
- Length
- 584 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fimh protein; Fimg protein
- UniProt
- A0A0R4I961, A0A140UH97
- Ligands
- MMA, MAN
- Pockets
- 4 · best druggability 0.56
Structure
x-ray diffraction · 2 distinct chains · 1% helix, 54% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Fimh protein | protein | 279 | 1% helix, 53% strand | A0A0R4I961 |
| B, D | Fimg protein | protein | 13 | 0% helix, 69% strand | A0A140UH97 |
Ligands and binding sites
- MMA · methyl alpha-D-mannopyranoside · sugar · 2 copies · chains A, C
- MAN · alpha-D-mannopyranose · sugar · 2 copies · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 207 | 0.56 | 0.79 | 31 | empty |
| 2 | 151 | 0.50 | 0.79 | 24 | empty |
| 3 | 56 | 0.29 | 0.75 | 14 | empty |
| 4 | 65 | 0.27 | 0.73 | 16 | empty |
Interfaces
5 interfaces between chains.
- C–D · 1035 Ų buried · 26 hydrogen bonds · protein-protein
- A–B · 1033 Ų buried · 27 hydrogen bonds · protein-protein
- A–C · 439 Ų buried · 0 hydrogen bonds · protein-protein
- B–C · 85 Ų buried · 1 hydrogen bond · protein-protein
- A–D · 66 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 6GTZ · Crystal structure of a FimH*DsG complex from E.coli F18 with bound dimannoside… · 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 A0A0R4I961
- Every structure of UniProt A0A140UH97
- Elsewhere: RCSB PDB 6GTZ · PDBe 6GTZ · UniProt A0A0R4I961 · UniProt A0A140UH97
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