Research workbench
2.2 ångström crystal structure of glucuronate isomerase from salmonella typhimurium.
Analyse 2.2 ångström crystal structure of glucuronate isomerase from salmonella… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3IAC
- Type
- protein
- Length
- 1,406 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glucuronate isomerase
- EC
- 5.3.1.12
- UniProt
- Q8ZM23
- Ligands
- CL
- Pockets
- 13 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 53% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Glucuronate isomerase (EC 5.3.1.12) | protein | 469 | 53% helix, 8% strand | Q8ZM23 |
| C | Glucuronate isomerase (EC 5.3.1.12) | protein | 468 | 52% helix, 8% strand | Q8ZM23 |
Ligands and binding sites
- CL · Chloride ion · ion · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1077 | 0.78 | 0.80 | 77 | empty |
| 2 | 642 | 0.75 | 0.81 | 88 | empty |
| 3 | 633 | 0.71 | 0.79 | 76 | empty |
| 4 | 684 | 0.71 | 0.78 | 86 | empty |
| 5 | 178 | 0.46 | 0.75 | 28 | empty |
Interfaces
3 interfaces between chains.
- A–C · 1963 Ų buried · 43 hydrogen bonds · protein-protein
- A–B · 1955 Ų buried · 43 hydrogen bonds · protein-protein
- B–C · 1939 Ų buried · 39 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 45 modified (engineered).
Compared structures
- 3IAC · 2.2 Angstrom Crystal Structure of Glucuronate Isomerase from Salmonella typhimurium. · the same entry in another collection · chain A against A, TM-score 1.00
- Q8ZM23 · AlphaFold monomer V2.0 prediction for uronate isomerase (Q8ZM23) · 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 Q8ZM23
- Elsewhere: RCSB PDB 3IAC · PDBe 3IAC · UniProt Q8ZM23
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