Research workbench
2.40 ångströms X-ray crystal structure of R239A 2-amino-3- carboxymuconate-6-semialdehyde decarboxylase from pseudomonas fluorescens
Analyse 2.40 ångströms X-ray crystal structure of R239A 2-amino-3… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4IFR
- Type
- protein
- Length
- 660 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 2-amino-3-carboxymuconate 6-semialdehyde decarboxylase
- UniProt
- Q83V25
- Ligands
- ZN
- Pockets
- 7 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | 2-amino-3-carboxymuconate 6-semialdehyde decarboxylase | protein | 330 | 45% helix, 16% strand | Q83V25 |
Ligands and binding sites
- ZN · Zinc ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 64 | 0.74 | 0.99 | 20 | empty |
| 2 | 54 | 0.72 | 0.98 | 19 | empty |
| 3 | 398 | 0.65 | 0.78 | 37 | empty |
| 4 | 311 | 0.59 | 0.77 | 31 | empty |
| 5 | 96 | 0.41 | 0.77 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 2341 Ų buried · 18 hydrogen bonds · protein-protein
Compared structures
- 4IFR · 2.40 Angstroms X-ray crystal structure of R239A 2-amino-3-carboxymuconate-6-semialdehyde… · 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 Q83V25
- Elsewhere: RCSB PDB 4IFR · PDBe 4IFR · UniProt Q83V25
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