Research workbench
Co-complex structure of the F4 fimbrial adhesin faeg variant ad with llama single domain antibody V3
Analyse Co-complex structure of the F4 fimbrial adhesin faeg variant ad with llama… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4WEU
- Type
- protein
- Length
- 710 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Anti-F4+ETEC bacteria vhh variable region; K88 fimbrial protein ad
- UniProt
- R9W3F6, P14191
- Pockets
- 9 · best druggability 0.78
Structure
x-ray diffraction · 3 distinct chains · 9% helix, 47% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| D, E | Anti-F4+ETEC bacteria vhh variable region | protein | 121 | 5% helix, 50% strand | R9W3F6 |
| A | K88 fimbrial protein ad | protein | 245 | 9% helix, 45% strand | P14191 |
| B | K88 fimbrial protein ad | protein | 223 | 10% helix, 46% strand | P14191 |
Pockets
9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 822 | 0.78 | 0.82 | 81 | empty |
| 2 | 222 | 0.64 | 0.83 | 27 | empty |
| 3 | 193 | 0.55 | 0.79 | 27 | empty |
| 4 | 174 | 0.54 | 0.80 | 24 | empty |
| 5 | 118 | 0.50 | 0.81 | 20 | empty |
Interfaces
5 interfaces between chains.
- A–E · 530 Ų buried · 13 hydrogen bonds · protein-protein
- D–B · 501 Ų buried · 9 hydrogen bonds · protein-protein
- D–A · 316 Ų buried · 3 hydrogen bonds · protein-protein
- A–B · 280 Ų buried · 8 hydrogen bonds · protein-protein
- B–E · 179 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 4WEU · Co-complex structure of the F4 fimbrial adhesin FaeG variant ad with llama single domain… · the same entry in another collection · chain D against D, TM-score 1.00
- P14191 · AlphaFold monomer V2.0 prediction for K88 fimbrial protein ad (P14191) · a predicted model of the same protein · chain A against A, TM-score 0.93
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 R9W3F6
- Every structure of UniProt P14191
- Elsewhere: RCSB PDB 4WEU · PDBe 4WEU · UniProt R9W3F6 · UniProt P14191
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