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MolNFT v1 · #14862 · protein

Crystal structure of galactose mutarotase from lactococcus lactis complexed with D-fucose

1MMX · Aldose 1-epimerase: “Crystal structure of galactose mutarotase from lactococcus lactis complexed with D-fucose”. X-ray diffraction, 2 ligands (FUC, NA), 5 pockets (best druggability 0.70). MolNFT v1 #14862 on GenesisL1: 3D…

PDB
1MMX
Type
protein
Length
685 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Aldose 1-epimerase
EC
5.1.3.3
UniProt
Q9ZB17
Ligands
FUC, NA
Pockets
5 · best druggability 0.70

Structure

x-ray diffraction · 2 distinct chains · 9% helix, 44% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAldose 1-epimerase (EC 5.1.3.3)protein3399% helix, 45% strandQ9ZB17
BAldose 1-epimerase (EC 5.1.3.3)protein3469% helix, 43% strandQ9ZB17

Ligands and binding sites

  • FUC · alpha-L-fucopyranose · sugar · 2 copies · chains A, B
  • NA · Sodium ion · metal · chains A, B

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

Pockets

5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14150.700.8166empty
21710.600.8338FUC
31580.600.8332FUC
41060.330.7220empty
5500.310.7712empty

Interfaces

1 interface between chains.

  • A–B · 1009 Ų buried · 19 hydrogen bonds · protein-protein

Compared structures

  • 1MMX · Crystal structure of galactose mutarotase from Lactococcus lactis complexed with D-fucose · the same entry in another collection · chain A against A, TM-score 1.00

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