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MolNFT v1 · #128925 · protein

Glycogen phosphorylase B in complex with 29A

5O54 · Glycogen phosphorylase, muscle form: “Glycogen phosphorylase B in complex with 29A”. X-ray diffraction, 3 ligands (PLP, 9LB, IMP), 11 pockets (best druggability 0.85). MolNFT v1 #128925 on GenesisL1: 3D structure, binding sites and…

PDB
5O54
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
PLP, 9LB, IMP
Pockets
11 · best druggability 0.85

Structure

x-ray diffraction · 1 distinct chain · 52% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGlycogen phosphorylase, muscle form (EC 2.4.1.1)protein81052% helix, 16% strandP00489

Ligands and binding sites

  • PLP · Pyridoxal-5'-phosphate · ligand · chains A
  • 9LB · (2~{R},3~{S},4~{R},5~{R},6~{R})-5-azanyl-2-(hydroxymethyl)-6-(5-phenyl-4~{H}-1,2,4-triazol-3-yl)oxane-3,4-diol · ligand · chains A
  • IMP · Inosinic acid · ligand · chains A

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

Pockets

11 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13050.850.9652PLP, 9LB
24380.700.8156empty
3720.700.9526empty
41860.500.7721IMP
51010.490.8121empty

Modifications

Observed in the structure: 1 cofactor (pyridoxal phosphate Schiff base).

Compared structures

  • 5O54 · Glycogen Phosphorylase b in complex with 29a · the same entry in another collection · chain A against A, TM-score 1.00

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