MolNFT v1 · #61260 · protein

Crystal structure of muconate lactonizing enzyme from pseudomonas fluorescens complexed with muconolactone

3DGB · Muconate cycloisomerase: “Crystal structure of muconate lactonizing enzyme from pseudomonas fluorescens complexed with muconolactone”. X-ray diffraction, 2 ligands (MUC, MG), 3 pockets (best druggability 0.43). MolNFT v1 #61260 on…

PDB: 3DGB
Type: protein
Length: 371 residues
Chains: 1
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: 3 · best druggability 0.43

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Muconate cycloisomerase (EC 5.5.1.1)	protein	371	41% helix, 23% strand	Q4K9X1

Ligands and binding sites

MUC · [(2S)-5-oxo-2,5-dihydrofuran-2-yl]acetic acid · ligand · chains A
MG · Magnesium ion · metal · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	86	0.43	0.79	18	empty
2	64	0.36	0.78	18	empty
3	52	0.33	0.78	13	empty

Compared structures

3DGB · 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 3DGB · PDBe 3DGB · UniProt Q4K9X1

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