Research workbench
Crystal structure of a DUF1089 family protein (PA1994) from pseudomonas aeruginosa at 1.80 a resolution
Analyse Crystal structure of a DUF1089 family protein (PA1994) from pseudomonas… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2H1T
- Type
- protein
- Length
- 370 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypothetical protein
- UniProt
- Q9I2B5
- Pockets
- 2 · best druggability 0.49
Structure
x-ray diffraction · 2 distinct chains · 8% helix, 56% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hypothetical protein | protein | 186 | 8% helix, 55% strand | Q9I2B5 |
| B | Hypothetical protein | protein | 184 | 8% helix, 56% strand | Q9I2B5 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 9 copies · chains A, B
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · 2 copies · chains A, B
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 | 110 | 0.49 | 0.80 | 19 | EDO, MPD |
| 2 | 102 | 0.48 | 0.80 | 17 | MPD |
Interfaces
1 interface between chains.
- A–B · 2569 Ų buried · 51 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (engineered).
Compared structures
- 2H1T · Crystal structure of a duf1089 family protein (pa1994) from pseudomonas aeruginosa at… · 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 Q9I2B5
- Elsewhere: RCSB PDB 2H1T · PDBe 2H1T · UniProt Q9I2B5
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