MolNFT v1 · #6919 · protein
Crystal structure of the bovine beta 1,4 galactosyltransferase (B4GALT1) catalytic domain complexed with uridine diphosphogalactose
1FR8: “Crystal structure of the bovine beta 1,4 galactosyltransferase (B4GALT1) catalytic domain complexed with…”. X-ray diffraction, 1 ligand (GDU), 7 pockets (best druggability 0.77). MolNFT v1 #6919 on GenesisL1: 3D structure, binding…
- PDB
- 1FR8
- Type
- protein
- Length
- 542 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta 1,4 galactosyltransferase
- EC
- 2.4.1.38
- UniProt
- P08037
- Ligands
- GDU
- Pockets
- 7 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 26% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Beta 1,4 galactosyltransferase (EC 2.4.1.38) | protein | 271 | 26% helix, 21% strand | P08037 |
Ligands and binding sites
- GDU · Galactose-uridine-5'-diphosphate · ligand · 2 copies · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1176 | 0.77 | 0.79 | 74 | GDU |
| 2 | 308 | 0.56 | 0.76 | 35 | GDU |
| 3 | 63 | 0.39 | 0.80 | 16 | empty |
| 4 | 110 | 0.37 | 0.74 | 22 | empty |
| 5 | 51 | 0.37 | 0.80 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 686 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 1FR8 · Crystal structure of the bovine beta 1,4 galactosyltransferase (B4GALT1) catalytic domain… · the same entry in another collection · chain A against A, TM-score 1.00
- P08037 · AlphaFold monomer V2.0 prediction for beta-1,4-galactosyltransferase 1 (P08037) · a predicted model of the same protein · chain A against A, TM-score 0.94
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 P08037
- Elsewhere: RCSB PDB 1FR8 · PDBe 1FR8 · UniProt P08037
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