Research workbench
Crystal structure of the imidazolonepropionase from agrobacterium tumefaciens at 1.87 a resolution
Analyse Crystal structure of the imidazolonepropionase from agrobacterium tumefaciens… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2GOK
- Type
- protein
- Length
- 808 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Imidazolonepropionase
- EC
- 3.5.2.7
- UniProt
- Q8U8Z6
- Ligands
- FE, MG, CL
- Pockets
- 8 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Imidazolonepropionase (EC 3.5.2.7) | protein | 404 | 37% helix, 23% strand | Q8U8Z6 |
Ligands and binding sites
- FE · Fe (III) ion · metal · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- CL · Chloride ion · ion
- GOL · Glycerol · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 385 | 0.68 | 0.80 | 47 | empty |
| 2 | 302 | 0.62 | 0.79 | 45 | empty |
| 3 | 186 | 0.58 | 0.81 | 25 | empty |
| 4 | 120 | 0.52 | 0.81 | 22 | MG, GOL |
| 5 | 128 | 0.49 | 0.79 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 1844 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 2GOK · Crystal structure of the imidazolonepropionase from Agrobacterium tumefaciens at 1.87 A… · the same entry in another collection · chain A against A, TM-score 1.00
- Q8U8Z6 · AlphaFold monomer V2.0 prediction for imidazolonepropionase (Q8U8Z6) · a predicted model of the same protein · 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 Q8U8Z6
- Elsewhere: RCSB PDB 2GOK · PDBe 2GOK · UniProt Q8U8Z6
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