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MolNFT v1 · #53170 · protein

Crystal structure of a mammalian sialyltransferase

2WML · Cmp-N-acetylneuraminate-beta-galactosamide…: “Crystal structure of a mammalian sialyltransferase”. X-ray diffraction, 1 ligand (CL), 4 pockets (best druggability 0.59). MolNFT v1 #53170 on GenesisL1: 3D structure, binding sites and…

PDB
2WML
Type
protein
Length
276 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cmp-N-acetylneuraminate-beta-galactosamide -alpha-2\,3-sialyltransferase
EC
2.4.99.4
UniProt
Q02745
Ligands
CL
Pockets
4 · best druggability 0.59

Structure

x-ray diffraction · 1 distinct chain · 32% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACmp-N-acetylneuraminate-beta-galactosamide -alpha-2\,3-sialyltransferase (EC 2.4.99.4)protein27632% helix, 13% strandQ02745

Ligands and binding sites

  • CL · Chloride ion · ion · chains A
  • GOL · Glycerol · additive · 2 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13440.590.7743GOL
2530.390.8115empty
3580.290.7413empty
4500.260.7414empty

Modifications

Observed in the structure: 3 disulfide, 3 modified (disulfide, engineered).

Compared structures

  • 2WML · Crystal Structure of a Mammalian Sialyltransferase · the same entry in another collection · chain A against A, TM-score 1.00
  • Q02745 · AlphaFold monomer V2.0 prediction for cmp-N-acetylneuraminate-beta… · a predicted model of the same protein · chain A against A, TM-score 1.00

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