MolNFT v1 · #91733 · protein
Crystal structure of a DUF4398 family protein (PA2901) from pseudomonas aeruginosa PAO1 at 2.47 a resolution
4FM3 · Uncharacterized hypothetical protein: “Crystal structure of a DUF4398 family protein (PA2901) from pseudomonas aeruginosa PAO1 at 2.47 a resolution”. X-ray diffraction, 1 ligand (SO4), 2 pockets (best druggability 0.36). MolNFT v1…
- PDB
- 4FM3
- Type
- protein
- Length
- 382 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized hypothetical protein
- UniProt
- Q9HZU6
- Ligands
- SO4
- Pockets
- 2 · best druggability 0.36
Structure
x-ray diffraction · 2 distinct chains · 83% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Uncharacterized hypothetical protein | protein | 95 | 83% helix, 0% strand | Q9HZU6 |
| C, D | Uncharacterized hypothetical protein | protein | 96 | 82% helix, 0% strand | Q9HZU6 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 9 copies · chains A, B, C, D
- PG4 · Tetraethylene glycol · additive · chains A, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 121 | 0.36 | 0.73 | 18 | empty |
| 2 | 107 | 0.34 | 0.73 | 15 | empty |
Interfaces
6 interfaces between chains.
- A–D · 1048 Ų buried · 14 hydrogen bonds · protein-protein
- B–C · 1047 Ų buried · 14 hydrogen bonds · protein-protein
- C–D · 900 Ų buried · 4 hydrogen bonds · protein-protein
- A–B · 751 Ų buried · 2 hydrogen bonds · protein-protein
- B–D · 175 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 modified (engineered).
Compared structures
- 4FM3 · Crystal structure of a DUF4398 family protein (PA2901) from Pseudomonas aeruginosa PAO1… · 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 Q9HZU6
- Elsewhere: RCSB PDB 4FM3 · PDBe 4FM3 · UniProt Q9HZU6
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