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MolNFT v1 · #59368 · protein

Golgi mannosidase II D204A catalytic nucleophile mutant complex with methyl (2-deoxy-2-acetamido-beta-D-glucopyranosyl)-(1->2)-alpha-D- mannopyranosyl- (1->3)-[alpha-D-mannopyranosyl-(1->6)-6-thio-alpha-D- mannopyranosyl- (1->6)]-beta-D-mannopyranoside

3BVW · Alpha-mannosidase 2: “Golgi mannosidase II D204A catalytic nucleophile mutant complex with methyl…”. X-ray diffraction, 5 ligands (YZ0, Z4Y, MAN), 11 pockets (best druggability 0.80). MolNFT v1 #59368 on GenesisL1: 3D structure…

PDB
3BVW
Type
protein
Length
1,015 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Alpha-mannosidase 2
EC
3.2.1.114
UniProt
Q24451
Ligands
YZ0, Z4Y, MAN, NAG, ZN
Pockets
11 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 24% helix, 31% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAlpha-mannosidase 2 (EC 3.2.1.114)protein101524% helix, 31% strandQ24451

Ligands and binding sites

  • YZ0 · methyl beta-D-mannopyranoside · ligand · chains A
  • Z4Y · 6-thio-alpha-D-mannopyranose · ligand · chains A
  • MAN · alpha-D-mannopyranose · sugar · 2 copies · chains A
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains A
  • ZN · Zinc ion · metal · chains A
  • MPD · (4S)-2-methyl-2,4-pentanediol · additive · chains A

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

Pockets

11 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11280.800.9832empty
22970.740.8749empty
35990.710.7987empty
42770.630.8132empty
52380.540.7735Z4Y, MAN

Modifications

Observed in the structure: 5 disulfide (disulfide).

Compared structures

  • 3BVW · GOLGI MANNOSIDASE II D204A catalytic nucleophile mutant complex with Methyl… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q24451 · AlphaFold monomer V2.0 prediction for alpha-mannosidase 2 (Q24451) · a predicted model of the same protein · chain A against A, TM-score 1.00

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