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Crystal structure of galactose mutarotase from lactococcus lactis mutant H96N complexed with galactose

Analyse Crystal structure of galactose mutarotase from lactococcus lactis mutant H96N… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1NSU
Type
protein
Length
685 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Galactose mutarotase
EC
5.1.3.3
UniProt
Q9ZB17
Ligands
GLA, NA
Pockets
7 · best druggability 0.67

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
AGalactose mutarotase (EC 5.1.3.3)protein3399% helix, 45% strandQ9ZB17
BGalactose mutarotase (EC 5.1.3.3)protein3469% helix, 43% strandQ9ZB17

Ligands and binding sites

  • GLA · alpha-D-galactopyranose · 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

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12680.670.8355empty
21720.610.8336GLA
31610.600.8333GLA
41780.490.7625empty
5620.330.7616empty

Interfaces

1 interface between chains.

  • A–B · 1000 Ų buried · 19 hydrogen bonds · protein-protein

Compared structures

  • 1NSU · Crystal structure of galactose mutarotase from Lactococcus lactis mutant H96N complexed… · the same entry in another collection · chain A against A, TM-score 1.00

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