MolNFT v1 · #16026 · protein
Beta-1,4-galactosyltransferase mutant CYS342THR complex with alpha- lactalbumin and glcnac
1NMM · Alpha-lactalbumin: “Beta-1,4-galactosyltransferase mutant CYS342THR complex with alpha- lactalbumin and glcnac”. X-ray diffraction, 2 ligands (NAG, CA), 5 pockets (best druggability 0.86). MolNFT v1 #16026 on GenesisL1: 3D…
- PDB
- 1NMM
- 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
- 5 · best druggability 0.86
Structure
x-ray diffraction · 2 distinct chains · 32% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Alpha-lactalbumin | protein | 123 | 42% helix, 10% 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, 22% 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
- PG4 · Tetraethylene glycol · additive · 2 copies · chains D
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 | 918 | 0.86 | 0.88 | 114 | NAG |
| 2 | 709 | 0.85 | 0.89 | 76 | NAG |
| 3 | 60 | 0.48 | 0.85 | 21 | empty |
| 4 | 97 | 0.39 | 0.76 | 20 | empty |
| 5 | 60 | 0.36 | 0.79 | 18 | empty |
Interfaces
5 interfaces between chains.
- C–D · 704 Ų buried · 4 hydrogen bonds · protein-protein
- A–B · 633 Ų buried · 3 hydrogen bonds · protein-protein
- B–C · 326 Ų buried · 3 hydrogen bonds · protein-protein
- A–C · 241 Ų buried · 1 hydrogen bond · protein-protein
- B–D · 78 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 12 disulfide (disulfide).
Compared structures
- 1NMM · beta-1,4-galactosyltransferase mutant Cys342Thr complex with alpha-lactalbumin and GlcNAc · 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 D 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 0.95
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 1NMM · PDBe 1NMM · UniProt P29752 · UniProt P08037
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