MolNFT v1 · #118801 · protein

Streptomyces plicatus N-acetyl-beta-hexosaminidase in complex with naglucal

5FD0 · B-N-acetylhexosaminidase: “Streptomyces plicatus N-acetyl-beta-hexosaminidase in complex with naglucal”. X-ray diffraction, 2 ligands (NAG, SO4), 5 pockets (best druggability 0.56). MolNFT v1 #118801 on GenesisL1: 3D structure…

PDB: 5FD0
Type: protein
Length: 499 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: B-N-acetylhexosaminidase
UniProt: O85361
Ligands: NAG, SO4
Pockets: 5 · best druggability 0.56

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	B-N-acetylhexosaminidase	protein	499	34% helix, 17% strand	O85361

Ligands and binding sites

NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains A
SO4 · Sulfate ion · ion · 4 copies · chains A
GOL · Glycerol · additive · 2 copies · chains A

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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	67	0.56	0.88	16	NAG
2	119	0.43	0.77	18	empty
3	66	0.40	0.80	15	empty
4	116	0.38	0.74	20	empty
5	83	0.33	0.74	19	empty

Compared structures

5FD0 · Streptomyces plicatus N-acetyl-beta-hexosaminidase in complex with NAGlucal · 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 O85361
Elsewhere: RCSB PDB 5FD0 · PDBe 5FD0 · UniProt O85361

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