MolNFT v1 · #185376 · protein

Crystal structure of beta-glucuronidase from acidobacterium capsulatum in complex with covalent inhibitor VL166

7PSJ: “Crystal structure of beta-glucuronidase from acidobacterium capsulatum in complex with covalent inhibitor…”. X-ray diffraction, 2 ligands (8I4, NDG), 3 pockets (best druggability 0.49). MolNFT v1 #185376 on GenesisL1: 3D structure…

PDB: 7PSJ
Type: protein
Length: 435 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Beta-glucuronidase
UniProt: C1F2K5
Ligands: 8I4, NDG
Pockets: 3 · best druggability 0.49

Structure

x-ray diffraction · 1 distinct chain · 30% helix, 30% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Beta-glucuronidase	protein	435	30% helix, 30% strand	C1F2K5

Ligands and binding sites

8I4 · (2R,3S,5R,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid · ligand · chains A
NDG · 2-acetamido-2-deoxy-alpha-D-glucopyranose · sugar · 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	155	0.49	0.78	41	empty
2	172	0.44	0.75	28	8I4, NDG
3	79	0.41	0.79	17	empty

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

7PSJ · Crystal structure of beta-glucuronidase from Acidobacterium capsulatum in complex with… · 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 C1F2K5
Elsewhere: RCSB PDB 7PSJ · PDBe 7PSJ · UniProt C1F2K5

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