Research workbench
Beta-1,4-galactosyltransferase complex with alpha-lactalbumin and N- butanoyl-glucoamine
Analyse Beta-1,4-galactosyltransferase complex with alpha-lactalbumin and N… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1NWG
- Type
- protein
- Length
- 790 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alpha-lactalbumin; Beta-1,4-galactosyltransferase
- EC
- 2.4.1.90
- UniProt
- P29752, P08037
- Ligands
- BGN, CA
- Pockets
- 4 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 31% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Alpha-lactalbumin | protein | 123 | 43% helix, 11% strand | P29752 |
| B, D | Beta-1,4-galactosyltransferase (EC 2.4.1.90) | protein | 272 | 26% helix, 22% strand | P08037 |
Ligands and binding sites
- BGN · 2-(butanoylamino)-2-deoxy-beta-D-glucopyranose · ligand · 2 copies · chains A, B, C, D
- CA · Calcium ion · metal · 2 copies · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1185 | 0.85 | 0.86 | 122 | BGN |
| 2 | 1031 | 0.84 | 0.85 | 118 | BGN |
| 3 | 75 | 0.36 | 0.76 | 17 | empty |
| 4 | 64 | 0.34 | 0.76 | 16 | empty |
Interfaces
5 interfaces between chains.
- C–D · 677 Ų buried · 4 hydrogen bonds · protein-protein
- A–B · 630 Ų buried · 3 hydrogen bonds · protein-protein
- B–C · 408 Ų buried · 4 hydrogen bonds · protein-protein
- A–C · 210 Ų buried · 1 hydrogen bond · protein-protein
- B–D · 74 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 12 disulfide (disulfide).
Compared structures
- 1NWG · Beta-1,4-galactosyltransferase complex with alpha-lactalbumin and N-butanoyl-glucoamine · 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 B against A, TM-score 1.00
- P29752 · AlphaFold monomer V2.0 prediction for alpha-lactalbumin (P29752) · 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 P29752
- Every structure of UniProt P08037
- Elsewhere: RCSB PDB 1NWG · PDBe 1NWG · UniProt P29752 · UniProt P08037
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