Research workbench
Crystal structure of muconate lactonizing enzyme from pseudomonas fluorescens complexed with muconolactone
Analyse Crystal structure of muconate lactonizing enzyme from pseudomonas fluorescens… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3FJ4
- Type
- protein
- Length
- 742 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Muconate cycloisomerase
- EC
- 5.5.1.1
- UniProt
- Q4K9X1
- Ligands
- MUC, MG
- Pockets
- 5 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Muconate cycloisomerase (EC 5.5.1.1) | protein | 371 | 41% helix, 24% strand | Q4K9X1 |
Ligands and binding sites
- MUC · [(2S)-5-oxo-2,5-dihydrofuran-2-yl]acetic acid · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 871 | 0.79 | 0.82 | 82 | empty |
| 2 | 109 | 0.42 | 0.77 | 23 | empty |
| 3 | 97 | 0.40 | 0.77 | 23 | empty |
| 4 | 65 | 0.37 | 0.79 | 18 | empty |
| 5 | 63 | 0.33 | 0.77 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 1170 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 3FJ4 · Crystal structure of muconate lactonizing enzyme from Pseudomonas Fluorescens complexed… · 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 Q4K9X1
- Elsewhere: RCSB PDB 3FJ4 · PDBe 3FJ4 · UniProt Q4K9X1
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