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MolNFT v1 · #164106 · protein

Cryo-EM structure of yeast ALG6 in complex with 6AG9 Fab and DOL25-P- glc

6SNH · Dolichyl pyrophosphate MAN9GLCNAC2 alpha-1,3…: “Cryo-EM structure of yeast ALG6 in complex with 6AG9 Fab and DOL25-P- glc”. Electron microscopy, 1 ligand (LMH), 13 pockets (best druggability 0.76). MolNFT v1 #164106 on GenesisL1: 3D…

PDB
6SNH
Type
protein
Length
918 residues
Chains
3
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Dolichyl pyrophosphate MAN9GLCNAC2 alpha-1,3- glucosyltransferase; 6AG9 Fab heavy chain…
EC
2.4.1.267
UniProt
Q12001
Ligands
LMH
Pockets
13 · best druggability 0.76

Structure

electron microscopy · 3 distinct chains · 37% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
XDolichyl pyrophosphate MAN9GLCNAC2 alpha-1,3- glucosyltransferase (EC 2.4.1.267)protein47968% helix, 0% strandQ12001
H6AG9 Fab heavy chainprotein2254% helix, 40% strand—
L6AG9 Fab light chainprotein2145% helix, 46% strand—

Ligands and binding sites

  • LMH · glucosyl-dolichol phosphate · ligand · chains X, H

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110380.760.7874LMH
21290.730.9333empty
31230.710.9126empty
4630.600.9017empty
51600.510.7823empty

Interfaces

3 interfaces between chains.

  • H–L · 1750 Ų buried · 4 hydrogen bonds · protein-protein
  • X–H · 768 Ų buried · 3 hydrogen bonds · protein-protein
  • X–L · 390 Ų buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 5 disulfide (disulfide).

Compared structures

  • 6SNH · Cryo-EM structure of yeast ALG6 in complex with 6AG9 Fab and Dol25-P-Glc · the same entry in another collection · chain X against X, TM-score 1.00
  • Q12001 · AlphaFold monomer V2.0 prediction for dolichyl pyrophosphate MAN9GLCNAC2… · a predicted model of the same protein · chain X against A, TM-score 0.98

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