MolNFT v1 · #78156 · protein

The crystal structure of glycogen phosphorylase B in complex with 2,5- dihydroxy-4-(beta-D-glucopyranosyl)-chlorobenzene

3S0J · Glycogen phosphorylase, muscle form: “The crystal structure of glycogen phosphorylase B in complex with 2,5…”. X-ray diffraction, 1 ligand (Z15), 13 pockets (best druggability 0.80). MolNFT v1 #78156 on GenesisL1: 3D structure…

PDB: 3S0J
Type: protein
Length: 810 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Glycogen phosphorylase, muscle form
EC: 2.4.1.1
UniProt: P00489
Ligands: Z15
Pockets: 13 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 53% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Glycogen phosphorylase, muscle form (EC 2.4.1.1)	protein	810	53% helix, 15% strand	P00489

Ligands and binding sites

Z15 · (1S)-1,5-anhydro-1-(4-chloro-2,5-dihydroxyphenyl)-D-glucitol · ligand · chains A

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

Pockets

13 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	160	0.80	0.96	33	Z15
2	90	0.73	0.95	25	empty
3	485	0.70	0.81	59	empty
4	203	0.53	0.77	19	empty
5	105	0.51	0.82	20	empty

Modifications

Observed in the structure: 1 modified (cofactor).

Compared structures

3S0J · The crystal structure of glycogen phosphorylase b 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 P00489
Elsewhere: RCSB PDB 3S0J · PDBe 3S0J · UniProt P00489

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