MolNFT v1 · #179818 · protein

FMN-binding beta-glucuronidase from roseburia hominis

7KGZ: “FMN-binding beta-glucuronidase from roseburia hominis”. X-ray diffraction, 2 ligands (FMN, CA), 17 pockets (best druggability 0.67). MolNFT v1 #179818 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7KGZ
Type: protein
Length: 1,267 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Beta-glucuronidase
Ligands: FMN, CA
Pockets: 17 · best druggability 0.67

Structure

x-ray diffraction · 2 distinct chains · 18% helix, 39% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Beta-glucuronidase	protein	633	18% helix, 39% strand	—
B	Beta-glucuronidase	protein	634	18% helix, 39% strand	—

Ligands and binding sites

FMN · Flavin mononucleotide · ligand · 2 copies · chains A, B
CA · Calcium ion · metal · 2 copies · chains A, B
GOL · Glycerol · additive · 4 copies · chains A, B

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

Pockets

17 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	286	0.67	0.83	38	empty
2	301	0.67	0.82	46	empty
3	264	0.64	0.81	41	empty
4	223	0.63	0.82	33	empty
5	108	0.59	0.86	21	empty

Interfaces

1 interface between chains.

A–B · 826 Å² buried · 7 hydrogen bonds · protein-protein

Compared structures

7KGZ · FMN-binding beta-glucuronidase from Roseburia hominis · 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
Elsewhere: RCSB PDB 7KGZ · PDBe 7KGZ

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