MolNFT v1 · #110161 · protein
Crystal structure of a FIMH*DSG complex from E.COLI K12 in space group P1
4XOA · Fimg: “Crystal structure of a FIMH*DSG complex from E.COLI K12 in space group P1”. X-ray diffraction, 4 pockets (best druggability 0.69). MolNFT v1 #110161 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4XOA
- Type
- protein
- Length
- 1,166 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fimg; Protein fimh
- UniProt
- C4ZT07, P08191
- Pockets
- 4 · best druggability 0.69
Structure
x-ray diffraction · 3 distinct chains · 3% helix, 53% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B, D, F | Fimg | protein | 12 | 0% helix, 75% strand | C4ZT07 |
| H | Fimg | protein | 14 | 0% helix, 64% strand | C4ZT07 |
| A, C, E, G | Protein fimh | protein | 279 | 3% helix, 52% strand | P08191 |
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 | 902 | 0.69 | 0.75 | 103 | empty |
| 2 | 558 | 0.65 | 0.76 | 61 | empty |
| 3 | 227 | 0.46 | 0.73 | 40 | empty |
| 4 | 63 | 0.35 | 0.78 | 18 | empty |
Interfaces
7 interfaces between chains.
- H–G · 1130 Ų buried · 27 hydrogen bonds · protein-protein
- F–E · 1043 Ų buried · 26 hydrogen bonds · protein-protein
- B–A · 1033 Ų buried · 26 hydrogen bonds · protein-protein
- D–C · 1028 Ų buried · 27 hydrogen bonds · protein-protein
- C–G · 746 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 4XOA · Crystal structure of a FimH*DsG complex from E.coli K12 in space group P1 · the same entry in another collection · chain G against G, TM-score 1.00
- P08191 · AlphaFold monomer V2.0 prediction for type 1 fimbrin D-mannose specific adhesin (P08191) · a predicted model of the same protein · chain G against A, TM-score 0.99
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 C4ZT07
- Every structure of UniProt P08191
- Elsewhere: RCSB PDB 4XOA · PDBe 4XOA · UniProt C4ZT07 · UniProt P08191
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