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MolNFT v1 · #151097 · protein

R49K variant of beta-phosphoglucomutase from lactococcus lactis in an open conformer to 1.6 a.

6HDH: “R49K variant of beta-phosphoglucomutase from lactococcus lactis in an open conformer to 1.6 a.”. X-ray diffraction, 1 ligand (MG), 2 pockets (best druggability 0.71). MolNFT v1 #151097 on GenesisL1: 3D structure, binding sites and…

PDB
6HDH
Type
protein
Length
436 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Beta-phosphoglucomutase
EC
5.4.2.6
UniProt
P71447
Ligands
MG
Pockets
2 · best druggability 0.71

Structure

x-ray diffraction · 1 distinct chain · 52% helix, 11% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BBeta-phosphoglucomutase (EC 5.4.2.6)protein21852% helix, 11% strandP71447

Ligands and binding sites

  • MG · Magnesium ion · metal · 2 copies · chains A, B
  • EDO · 1,2-ethanediol · additive · 7 copies · chains A, B
  • ACT · Acetate ion · 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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17040.710.7854EDO
26620.680.7754EDO, ACT

Interfaces

1 interface between chains.

  • A–B · 618 Ų buried · 7 hydrogen bonds · protein-protein

Compared structures

  • 6HDH · R49K variant of beta-phosphoglucomutase from Lactococcus lactis in an open conformer to… · the same entry in another collection · chain A against A, TM-score 1.00
  • P71447 · AlphaFold monomer V2.0 prediction for beta-phosphoglucomutase (P71447) · a predicted model of the same protein · chain A against A, TM-score 0.86

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