MolNFT v1 · #126586 · protein
Blood group synthase aaglyb in complex with udp and cryoprotected with peg 3350
5M7C · Histo-blood group abo system transferase: “Blood group synthase aaglyb in complex with udp and cryoprotected with peg 3350”. X-ray diffraction, 3 ligands (UDP, MN, SO4), 6 pockets (best druggability 0.75). MolNFT v1 #126586 on…
- PDB
- 5M7C
- Type
- protein
- Length
- 586 residues
- Chains
- 2
- 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
- UDP, MN, SO4
- Pockets
- 6 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Histo-blood group abo system transferase (EC 2.4.1.40, 2.4.1.37) | protein | 293 | 34% helix, 18% strand | P16442 |
Ligands and binding sites
- UDP · Uridine-5'-diphosphate · ligand · 2 copies · chains A, B
- MN · Manganese (II) ion · metal · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 477 | 0.75 | 0.84 | 44 | MN, UDP |
| 2 | 839 | 0.75 | 0.79 | 62 | empty |
| 3 | 463 | 0.73 | 0.82 | 41 | MN, UDP |
| 4 | 70 | 0.34 | 0.76 | 11 | empty |
| 5 | 69 | 0.33 | 0.75 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 2506 Ų buried · 31 hydrogen bonds · protein-protein
Compared structures
- 5M7C · Blood group synthase AAGlyB in complex with UDP and cryoprotected with PEG 3350 · 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 B 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 P16442
- Elsewhere: RCSB PDB 5M7C · PDBe 5M7C · UniProt P16442
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.