MolNFT v1 · #113135 · protein

GH20C, beta-hexosaminidase from streptococcus pneumoniae in complex with gal-pugnac

5A69 · N-acetyl-beta-D-glucosaminidase: “GH20C, beta-hexosaminidase from streptococcus pneumoniae in complex with gal-pugnac”. X-ray diffraction, 1 ligand (OGN), 3 pockets (best druggability 0.62). MolNFT v1 #113135 on GenesisL1: 3D…

PDB: 5A69
Type: protein
Length: 585 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: N-acetyl-beta-D-glucosaminidase
UniProt: C1CH75
Ligands: OGN
Pockets: 3 · best druggability 0.62

Structure

x-ray diffraction · 1 distinct chain · 49% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	N-acetyl-beta-D-glucosaminidase	protein	585	49% helix, 14% strand	C1CH75

Ligands and binding sites

OGN · [(Z)-[(3R,4R,5R,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-ylidene]amino] N-phenylcarbamate · ligand · 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	206	0.62	0.82	29	empty
2	128	0.48	0.78	20	OGN
3	153	0.39	0.73	27	empty

Compared structures

5A69 · GH20C, Beta-hexosaminidase from Streptococcus pneumoniae in complex with Gal-PUGNAc · 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 C1CH75
Elsewhere: RCSB PDB 5A69 · PDBe 5A69 · UniProt C1CH75

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