MolNFT v1 · #67579 · protein
Crystal structure of the fucosylgalactoside alpha N- acetylgalactosaminyltransferase (gta, cisab mutant L266G, G268A) in complex with a novel udp-gal derived inhibitor (1GW)
3IOI · Histo-blood group abo system transferase: “Crystal structure of the fucosylgalactoside alpha N- acetylgalactosaminyltransferase (gta, cisab mutant…”. X-ray diffraction, 3 ligands (1GW, MN, SO4), 3 pockets (best druggability 0.55).…
- PDB
- 3IOI
- Type
- protein
- Length
- 274 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Histo-blood group abo system transferase
- EC
- 2.4.1.40, 2.4.1.37
- UniProt
- P16442
- Ligands
- 1GW, MN, SO4
- Pockets
- 3 · best druggability 0.55
Structure
x-ray diffraction · 1 distinct chain · 33% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Histo-blood group abo system transferase (EC 2.4.1.40, 2.4.1.37) | protein | 274 | 33% helix, 20% strand | P16442 |
Ligands and binding sites
- 1GW · 5-(2-formylthien-5-yl)-uridine-5'-diphosphate-alpha-D-galactose · ligand · chains A
- MN · Manganese (II) ion · metal · chains A
- SO4 · Sulfate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 313 | 0.55 | 0.75 | 39 | MN, 1GW |
| 2 | 59 | 0.35 | 0.78 | 12 | empty |
| 3 | 62 | 0.32 | 0.75 | 12 | empty |
Compared structures
- 3IOI · Crystal structure of the Fucosylgalactoside alpha N-acetylgalactosaminyltransferase (GTA… · the same entry in another collection · chain A against A, TM-score 1.00
- P16442 · AlphaFold monomer V2.0 prediction for histo-blood group abo system transferase (P16442) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P16442
- Elsewhere: RCSB PDB 3IOI · PDBe 3IOI · UniProt P16442
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.