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Kinetic and structural characterization of the 4-oxalocrotonate tautomerase isozymes from methylibium petroleiphilum
Analyse Kinetic and structural characterization of the 4-oxalocrotonate tautomerase… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4FAZ
- Type
- protein
- Length
- 186 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 4-oxalocrotonate isomerase protein
- EC
- 5.3.2.-
- UniProt
- A2SI32
- Ligands
- SO4
- Pockets
- 1 · best druggability 0.38
Structure
x-ray diffraction · 1 distinct chain · 48% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | 4-oxalocrotonate isomerase protein (EC 5.3.2.-) | protein | 62 | 48% helix, 29% strand | A2SI32 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 89 | 0.38 | 0.76 | 15 | empty |
Interfaces
3 interfaces between chains.
- B–C · 950 Ų buried · 12 hydrogen bonds · protein-protein
- A–B · 629 Ų buried · 9 hydrogen bonds · protein-protein
- A–C · 208 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4FAZ · Kinetic and structural characterization of the 4-oxalocrotonate tautomerase isozymes from… · 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 A2SI32
- Elsewhere: RCSB PDB 4FAZ · PDBe 4FAZ · UniProt A2SI32
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