MolNFT v1 · #41074 · protein
Crystal structure of alpha-1,3 galactosyltransferase (R365K) in the absence of ligands
2JCL · N-acetyllactosaminide alpha-1,3-galactosyltransferase: “Crystal structure of alpha-1,3 galactosyltransferase (R365K) in the absence of ligands”. X-ray diffraction, 1 ligand (SO4), 6 pockets (best druggability 0.62). MolNFT v1 #41074…
- PDB
- 2JCL
- Type
- protein
- Length
- 554 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- N-acetyllactosaminide alpha-1,3-galactosyltransferase
- EC
- 2.4.1.151, 2.4.1.87
- UniProt
- P14769
- Ligands
- SO4
- Pockets
- 6 · best druggability 0.62
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | N-acetyllactosaminide alpha-1,3-galactosyltransferase (EC 2.4.1.151, 2.4.1.87) | protein | 277 | 35% helix, 21% strand | P14769 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 5 copies · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 177 | 0.62 | 0.84 | 35 | empty |
| 2 | 271 | 0.58 | 0.78 | 27 | empty |
| 3 | 161 | 0.45 | 0.75 | 25 | empty |
| 4 | 61 | 0.38 | 0.79 | 12 | SO4 |
| 5 | 89 | 0.35 | 0.74 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 874 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 2JCL · Crystal structure of alpha-1,3 Galactosyltransferase (R365K) in the absence of ligands · the same entry in another collection · chain A against A, TM-score 1.00
- P14769 · AlphaFold monomer V2.0 prediction for N-acetyllactosaminide… · a predicted model of the same protein · chain A against A, TM-score 0.99
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P14769
- Elsewhere: RCSB PDB 2JCL · PDBe 2JCL · UniProt P14769
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