MolNFT v1 · #112443 · protein

Cellobionic acid phosphorylase - 3-O-beta-D-glucopyranosyl-alpha-D- glucopyranuronic acid complex

4ZLI · Putative B-glycan phosphorylase: “Cellobionic acid phosphorylase - 3-O-beta-D-glucopyranosyl-alpha-D- glucopyranuronic acid complex”. X-ray diffraction, 4 ligands (GCU, BGC, SO4), 8 pockets (best druggability 0.78). MolNFT v1…

PDB: 4ZLI
Type: protein
Length: 785 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative B-glycan phosphorylase
EC: 2.4.1.321
UniProt: Q21MB1
Ligands: GCU, BGC, SO4, CL
Pockets: 8 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 32% helix, 26% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Putative B-glycan phosphorylase (EC 2.4.1.321)	protein	785	32% helix, 26% strand	Q21MB1

Ligands and binding sites

GCU · alpha-D-glucopyranuronic acid · sugar · chains A
BGC · beta-D-glucopyranose · sugar · chains A
SO4 · Sulfate ion · ion · 4 copies · chains A
CL · Chloride ion · ion · chains A
GOL · Glycerol · additive · 5 copies · chains A

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

Pockets

8 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	1050	0.78	0.80	75	GCU, BGC, GOL, SO4
2	172	0.47	0.76	25	empty
3	52	0.36	0.79	20	GOL
4	79	0.34	0.74	12	empty
5	72	0.33	0.75	15	empty

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 Q21MB1
Elsewhere: RCSB PDB 4ZLI · PDBe 4ZLI · UniProt Q21MB1

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