Research workbench
4-oxalocrotonate tautomerase observed as an octodecamer, trigonal crystal form
Analyse 4-oxalocrotonate tautomerase observed as an octodecamer, trigonal crystal form in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4OTC
- Type
- protein
- Length
- 540 residues
- Chains
- 9
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 4-oxalocrotonate tautomerase
- EC
- 5.3.2.-
- UniProt
- Q01468
- Ligands
- SO4
- Pockets
- 6 · best druggability 0.34
Structure
x-ray diffraction · 1 distinct chain · 47% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H, I | 4-oxalocrotonate tautomerase (EC 5.3.2.-) | protein | 60 | 47% helix, 30% strand | Q01468 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 18 copies · chains A, B, C, D, E, F, G, H, I
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 | 88 | 0.34 | 0.74 | 22 | SO4 |
| 2 | 60 | 0.31 | 0.75 | 14 | SO4 |
| 3 | 77 | 0.31 | 0.74 | 20 | SO4 |
| 4 | 55 | 0.30 | 0.75 | 14 | SO4 |
| 5 | 52 | 0.29 | 0.75 | 14 | SO4 |
Interfaces
5 interfaces between chains.
- F–G · 952 Ų buried · 12 hydrogen bonds · protein-protein
- D–E · 946 Ų buried · 9 hydrogen bonds · protein-protein
- H–I · 944 Ų buried · 11 hydrogen bonds · protein-protein
- B–C · 938 Ų buried · 8 hydrogen bonds · protein-protein
- B–F · 210 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 4OTC · 4-oxalocrotonate tautomerase observed as an octodecamer, trigonal crystal form · the same entry in another collection · chain I against I, TM-score 1.00
- Q01468 · AlphaFold monomer V2.0 prediction for 2-hydroxymuconate tautomerase (Q01468) · a predicted model of the same protein · chain A against A, TM-score 0.92
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 Q01468
- Elsewhere: RCSB PDB 4OTC · PDBe 4OTC · UniProt Q01468
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