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MolNFT v1 · #118678 · protein

Crystal structure of the G121R mutant of human phosphoglucomutase 1

5F9C · Phosphoglucomutase-1: “Crystal structure of the G121R mutant of human phosphoglucomutase 1”. X-ray diffraction, 2 ligands (MG, SO4), 8 pockets (best druggability 0.70). MolNFT v1 #118678 on GenesisL1: 3D structure, binding sites and…

PDB
5F9C
Type
protein
Length
1,086 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Phosphoglucomutase-1
EC
5.4.2.2
UniProt
P36871
Ligands
MG, SO4
Pockets
8 · best druggability 0.70

Structure

x-ray diffraction · 2 distinct chains · 36% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APhosphoglucomutase-1 (EC 5.4.2.2)protein55035% helix, 25% strandP36871
BPhosphoglucomutase-1 (EC 5.4.2.2)protein53636% helix, 24% strandP36871

Ligands and binding sites

  • MG · Magnesium ion · metal · 2 copies · chains A, B
  • SO4 · Sulfate ion · ion · 9 copies · chains A, B
  • GOL · Glycerol · additive · 2 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, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15620.700.7957SO4
25070.640.7657SO4
35460.640.7672SO4, MG
41270.430.7624GOL
5890.350.7521empty

Interfaces

1 interface between chains.

  • A–B · 534 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • 5F9C · Crystal structure of the G121R mutant of human phosphoglucomutase 1 · the same entry in another collection · chain A against A, TM-score 1.00
  • P36871 · AlphaFold monomer V2.0 prediction for phosphoglucomutase-1 (P36871) · a predicted model of the same protein · chain B against A, TM-score 0.99

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