Research workbench
Crystal structure of a DUF4426 family protein (PA0388) from pseudomonas aeruginosa PAO1 at 2.09 a resolution
Analyse Crystal structure of a DUF4426 family protein (PA0388) from pseudomonas… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3UC2
- Type
- protein
- Length
- 484 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypothetical protein with immunoglobulin-like fold
- UniProt
- Q9I6A7
- Ligands
- SO4
- Pockets
- 6 · best druggability 0.49
Structure
x-ray diffraction · 3 distinct chains · 5% helix, 60% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Hypothetical protein with immunoglobulin-like fold | protein | 124 | 7% helix, 58% strand | Q9I6A7 |
| B | Hypothetical protein with immunoglobulin-like fold | protein | 126 | 7% helix, 57% strand | Q9I6A7 |
| D | Hypothetical protein with immunoglobulin-like fold | protein | 110 | 0% helix, 65% strand | Q9I6A7 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 8 copies · chains A, B, C, D
- GOL · Glycerol · additive · 3 copies · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 117 | 0.49 | 0.80 | 24 | empty |
| 2 | 90 | 0.37 | 0.76 | 19 | empty |
| 3 | 64 | 0.35 | 0.78 | 17 | SO4, GOL |
| 4 | 61 | 0.33 | 0.76 | 16 | SO4, GOL |
| 5 | 59 | 0.33 | 0.77 | 15 | empty |
Interfaces
5 interfaces between chains.
- C–D · 458 Ų buried · 4 hydrogen bonds · protein-protein
- A–B · 400 Ų buried · 4 hydrogen bonds · protein-protein
- B–D · 394 Ų buried · 9 hydrogen bonds · protein-protein
- B–C · 46 Ų buried · 0 hydrogen bonds · protein-protein
- A–D · 39 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (engineered).
Compared structures
- 3UC2 · Crystal structure of a DUF4426 family protein (PA0388) 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 Q9I6A7
- Elsewhere: RCSB PDB 3UC2 · PDBe 3UC2 · UniProt Q9I6A7
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