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Crystal structure of aggb, the minor subunit of aggregative adherence fimbriae type I from the escherichia COLI O4H104
Analyse Crystal structure of aggb, the minor subunit of aggregative adherence fimbriae… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4PHX
- Type
- protein
- Length
- 1,028 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein aggb
- UniProt
- P46006
- Pockets
- 17 · best druggability 0.75
Structure
x-ray diffraction · 8 distinct chains · 0% helix, 55% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Protein aggb | protein | 130 | 0% helix, 58% strand | P46006 |
| A | Protein aggb | protein | 133 | 0% helix, 59% strand | P46006 |
| C | Protein aggb | protein | 132 | 0% helix, 57% strand | P46006 |
| D | Protein aggb | protein | 132 | 0% helix, 58% strand | P46006 |
| E | Protein aggb | protein | 126 | 0% helix, 58% strand | P46006 |
| F | Protein aggb | protein | 126 | 0% helix, 56% strand | P46006 |
| G | Protein aggb | protein | 126 | 0% helix, 47% strand | P46006 |
| H | Protein aggb | protein | 123 | 0% helix, 48% strand | P46006 |
Pockets
17 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 471 | 0.75 | 0.84 | 66 | empty |
| 2 | 750 | 0.68 | 0.76 | 90 | empty |
| 3 | 344 | 0.63 | 0.79 | 40 | empty |
| 4 | 493 | 0.62 | 0.76 | 74 | empty |
| 5 | 172 | 0.55 | 0.80 | 20 | empty |
Interfaces
13 interfaces between chains.
- A–D · 606 Ų buried · 11 hydrogen bonds · protein-protein
- C–E · 532 Ų buried · 11 hydrogen bonds · protein-protein
- B–C · 515 Ų buried · 4 hydrogen bonds · protein-protein
- B–F · 484 Ų buried · 4 hydrogen bonds · protein-protein
- B–G · 463 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 4PHX · Crystal structure of AggB, the minor subunit of aggregative adherence fimbriae type I… · the same entry in another collection · chain H against H, TM-score 1.00
- P46006 · AlphaFold monomer V2.0 prediction for protein aggb (P46006) · a predicted model of the same protein · chain B against A, TM-score 0.83
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 P46006
- Elsewhere: RCSB PDB 4PHX · PDBe 4PHX · UniProt P46006
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