MolNFT v1 · #16158 · protein
Crystal structure of lactose synthase, a 1:1 complex between BETA1,4- galactosyltransferase and alpha-lactalbumin in the presence of glcnac
1NQI: “Crystal structure of lactose synthase, a 1:1 complex between BETA1,4- galactosyltransferase and…”. X-ray diffraction, 2 ligands (NAG, CA), 6 pockets (best druggability 0.83). MolNFT v1 #16158 on GenesisL1: 3D structure, binding…
- PDB
- 1NQI
- 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
- 2.4.1.22, 2.4.1.90, 2.4.1.38
- UniProt
- P29752, P08037
- Ligands
- NAG, CA
- Pockets
- 6 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 32% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Alpha-lactalbumin | protein | 123 | 42% helix, 11% strand | P29752 |
| B, D | Beta-1,4-galactosyltransferase (EC 2.4.1.22, 2.4.1.90, 2.4.1.38) | protein | 272 | 27% helix, 23% strand | P08037 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 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
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 747 | 0.83 | 0.87 | 68 | NAG |
| 2 | 987 | 0.83 | 0.84 | 106 | NAG |
| 3 | 421 | 0.75 | 0.84 | 63 | empty |
| 4 | 113 | 0.56 | 0.84 | 25 | empty |
| 5 | 90 | 0.38 | 0.77 | 20 | empty |
Interfaces
5 interfaces between chains.
- C–D · 702 Ų buried · 5 hydrogen bonds · protein-protein
- A–B · 660 Ų buried · 5 hydrogen bonds · protein-protein
- B–C · 399 Ų buried · 3 hydrogen bonds · protein-protein
- A–C · 211 Ų buried · 1 hydrogen bond · protein-protein
- B–D · 61 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 disulfide (disulfide).
Compared structures
- 1NQI · crystal structure of lactose synthase, a 1:1 complex between… · 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 1NQI · PDBe 1NQI · UniProt P29752 · UniProt P08037
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.