Research workbench
E45Q mutant of phenazine biosynthesis protein phzf in complex with (5R,6R)-6-azaniumyl-5-ethoxycyclohexa-1,3-diene-1-carboxylate
Analyse E45Q mutant of phenazine biosynthesis protein phzf in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5IWE
- Type
- protein
- Length
- 279 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Trans-2,3-dihydro-3-hydroxyanthranilate isomerase
- EC
- 5.3.3.17
- UniProt
- Q51792
- Ligands
- W81
- Pockets
- 2 · best druggability 0.59
Structure
x-ray diffraction · 1 distinct chain · 21% helix, 43% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Trans-2,3-dihydro-3-hydroxyanthranilate isomerase (EC 5.3.3.17) | protein | 279 | 21% helix, 43% strand | Q51792 |
Ligands and binding sites
- W81 · (5R,6R)-6-azaniumyl-5-ethoxycyclohexa-1,3-diene-1-carboxylate · ligand · chains A
- PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A
- EDO · 1,2-ethanediol · additive · 2 copies · chains A
- GOL · Glycerol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 144 | 0.59 | 0.84 | 29 | W81 |
| 2 | 50 | 0.26 | 0.73 | 14 | empty |
Compared structures
- 5IWE · E45Q mutant of phenazine biosynthesis protein PhzF in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
- Q51792 · AlphaFold monomer V2.0 prediction for trans-2,3-dihydro-3-hydroxyanthranilate isomerase… · 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 Q51792
- Elsewhere: RCSB PDB 5IWE · PDBe 5IWE · UniProt Q51792
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