MolNFT v1 · #98257 · protein
Human lactose synthase: a 2:1 complex between human alpha-lactalbumin and human BETA1,4-galactosyltransferase
4L41: “Human lactose synthase: a 2:1 complex between human alpha-lactalbumin and human BETA1,4-galactosyltransferase”. X-ray diffraction, 2 ligands (CA, SO4), 5 pockets (best druggability 0.83). MolNFT v1 #98257 on GenesisL1: 3D structure…
- PDB
- 4L41
- Type
- protein
- Length
- 518 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alpha-lactalbumin; Beta-1,4-galactosyltransferase 1
- EC
- 2.4.1.22
- UniProt
- P00709, P15291
- Ligands
- CA, SO4
- Pockets
- 5 · best druggability 0.83
Structure
x-ray diffraction · 3 distinct chains · 33% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alpha-lactalbumin | protein | 123 | 45% helix, 10% strand | P00709 |
| C | Beta-1,4-galactosyltransferase 1 (EC 2.4.1.22) | protein | 273 | 25% helix, 22% strand | P15291 |
| B | Alpha-lactalbumin | protein | 122 | 40% helix, 10% strand | P00709 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1090 | 0.83 | 0.84 | 98 | SO4 |
| 2 | 144 | 0.50 | 0.79 | 19 | empty |
| 3 | 68 | 0.48 | 0.84 | 20 | empty |
| 4 | 113 | 0.43 | 0.77 | 18 | empty |
| 5 | 52 | 0.25 | 0.73 | 15 | empty |
Interfaces
3 interfaces between chains.
- C–B · 674 Ų buried · 3 hydrogen bonds · protein-protein
- A–C · 579 Ų buried · 1 hydrogen bond · protein-protein
- A–B · 94 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 10 disulfide (disulfide).
Compared structures
- 4L41 · Human Lactose synthase: A 2:1 complex between human alpha-lactalbumin and human… · the same entry in another collection · chain A against A, TM-score 1.00
- P15291 · AlphaFold monomer V2.0 prediction for beta-1,4-galactosyltransferase 1 (P15291) · a predicted model of the same protein · chain C against A, TM-score 1.00
- P00709 · AlphaFold monomer V2.0 prediction for alpha-lactalbumin (P00709) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P00709
- Every structure of UniProt P15291
- Elsewhere: RCSB PDB 4L41 · PDBe 4L41 · UniProt P00709 · UniProt P15291
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