MolNFT v1 · #77104 · protein
Crystal structure of a fimbrial assembly protein (BDI_3522) from parabacteroides distasonis atcc 8503 at 2.38 a resolution
3R4R · Hypothetical fimbrial assembly protein: “Crystal structure of a fimbrial assembly protein (BDI_3522) from parabacteroides distasonis atcc 8503 at 2.38…”. X-ray diffraction, 1 ligand (SO4), 7 pockets (best druggability 0.71). MolNFT…
- PDB
- 3R4R
- Type
- protein
- Length
- 541 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypothetical fimbrial assembly protein
- UniProt
- A6LHQ9
- Ligands
- SO4
- Pockets
- 7 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 5% helix, 48% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hypothetical fimbrial assembly protein | protein | 274 | 5% helix, 49% strand | A6LHQ9 |
| B | Hypothetical fimbrial assembly protein | protein | 267 | 5% helix, 47% strand | A6LHQ9 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 2 copies · chains A
- EDO · 1,2-ethanediol · additive · 6 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 446 | 0.71 | 0.82 | 41 | empty |
| 2 | 132 | 0.59 | 0.84 | 26 | empty |
| 3 | 156 | 0.51 | 0.79 | 26 | EDO |
| 4 | 83 | 0.42 | 0.79 | 15 | empty |
| 5 | 72 | 0.39 | 0.78 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 426 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (engineered).
Compared structures
- 3R4R · Crystal structure of a fimbrial assembly protein (BDI_3522) from Parabacteroides… · the same entry in another collection · chain A against A, TM-score 1.00
- A6LHQ9 · AlphaFold monomer V2.0 prediction for putative fimbrium tip subunit FIM1F (A6LHQ9) · a predicted model of the same protein · chain A 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 A6LHQ9
- Elsewhere: RCSB PDB 3R4R · PDBe 3R4R · UniProt A6LHQ9
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