MolNFT v1 · #90281 · protein
Crystal structure of human M340H-beta-1,4-galactosyltransferase-1 (M340H-B4GAL-T1) in complex with glcnac-BETA1,6-glcnac-alpha-benzyl
4EEO · Beta-1,4-galactosyltransferase 1: “Crystal structure of human M340H-beta-1,4-galactosyltransferase-1 (M340H-B4GAL-T1) in complex with…”. X-ray diffraction, 5 ligands (BBV, UDP, NAG), 9 pockets (best druggability 0.74). MolNFT v1…
- PDB
- 4EEO
- Type
- protein
- Length
- 819 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-1,4-galactosyltransferase 1
- EC
- 2.4.1.-, 2.4.1.22, 2.4.1.90, 2.4.1.38
- UniProt
- P15291
- Ligands
- BBV, UDP, NAG, MN, SO4
- Pockets
- 9 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 25% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Beta-1,4-galactosyltransferase 1 (EC 2.4.1.-, 2.4.1.22, 2.4.1.90, 2.4.1.38) | protein | 273 | 25% helix, 23% strand | P15291 |
Ligands and binding sites
- BBV · benzyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside · ligand · 3 copies · chains A, B, C
- UDP · Uridine-5'-diphosphate · ligand · 3 copies · chains A, B, C
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 3 copies · chains A, B, C
- MN · Manganese (II) ion · metal · 3 copies · chains A, B, C
- SO4 · Sulfate ion · ion · 11 copies · chains A, B, C
- GOL · Glycerol · additive · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 398 | 0.74 | 0.84 | 41 | SO4 |
| 2 | 359 | 0.73 | 0.84 | 37 | SO4 |
| 3 | 313 | 0.72 | 0.85 | 29 | SO4 |
| 4 | 359 | 0.71 | 0.83 | 41 | NAG, UDP, MN, GOL |
| 5 | 349 | 0.69 | 0.82 | 44 | NAG, UDP, MN, GOL |
Interfaces
3 interfaces between chains.
- B–C · 498 Ų buried · 0 hydrogen bonds · protein-protein
- A–B · 485 Ų buried · 0 hydrogen bonds · protein-protein
- A–C · 467 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 4EEO · Crystal structure of human M340H-beta-1,4-galactosyltransferase-1 (M340H-B4GAL-T1) in… · 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 A against A, TM-score 1.00
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 P15291
- Elsewhere: RCSB PDB 4EEO · PDBe 4EEO · UniProt P15291
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