MolNFT v1 · #116070 · protein
4-oxalocrotonate decarboxylase from pseudomonas putida G7 - complexed with magnesium and alpha-ketoglutarate
5D2H · 4-oxalocrotonate decarboxylase nahk: “4-oxalocrotonate decarboxylase from pseudomonas putida G7 - complexed with magnesium and alpha-ketoglutarate”. X-ray diffraction, 4 ligands (AKG, MG, CL), 1 pocket (best druggability 0.64).…
- PDB
- 5D2H
- Type
- protein
- Length
- 263 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 4-oxalocrotonate decarboxylase nahk
- EC
- 4.1.1.77
- UniProt
- Q1XGK3
- Ligands
- AKG, MG, CL, SO4
- Pockets
- 1 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 31% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 4-oxalocrotonate decarboxylase nahk (EC 4.1.1.77) | protein | 263 | 31% helix, 30% strand | Q1XGK3 |
Ligands and binding sites
- AKG · 2-oxoglutaric acid · ligand · chains A
- MG · Magnesium ion · metal · chains A
- CL · Chloride ion · ion · chains A
- SO4 · Sulfate ion · ion · chains A
- EDO · 1,2-ethanediol · additive · 9 copies · chains A
- ACT · Acetate ion · additive · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 290 | 0.64 | 0.81 | 36 | AKG, EDO |
Compared structures
- 5D2H · 4-oxalocrotonate decarboxylase from Pseudomonas putida G7 - complexed with magnesium and… · 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 Q1XGK3
- Elsewhere: RCSB PDB 5D2H · PDBe 5D2H · UniProt Q1XGK3
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