MolNFT v1 · #164896 · protein

Crystal structure of bacteroides thetaiotamicron endobt-3987 with MAN5GLCNAC product

6TCW · Endo-beta-N-acetylglucosaminidase F1: “Crystal structure of bacteroides thetaiotamicron endobt-3987 with MAN5GLCNAC product”. X-ray diffraction, 4 ligands (MAN, NAG, BMA), 2 pockets (best druggability 0.78). MolNFT v1 #164896 on…

PDB: 6TCW
Type: protein
Length: 428 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Endo-beta-N-acetylglucosaminidase F1
UniProt: Q8A0N4
Ligands: MAN, NAG, BMA, CA
Pockets: 2 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 25% helix, 30% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Endo-beta-N-acetylglucosaminidase F1	protein	428	25% helix, 30% strand	Q8A0N4

Ligands and binding sites

MAN · alpha-D-mannopyranose · sugar · 4 copies · chains A
NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains A
BMA · beta-D-mannopyranose · sugar · chains A
CA · Calcium ion · metal · 2 copies · chains A
GOL · Glycerol · additive · chains A

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

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	776	0.78	0.82	66	empty
2	252	0.60	0.80	36	empty

Compared structures

6TCW · Crystal structure of Bacteroides thetaiotamicron EndoBT-3987 with Man5GlcNAc product · 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 Q8A0N4
Elsewhere: RCSB PDB 6TCW · PDBe 6TCW · UniProt Q8A0N4

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