MolNFT v1 · #134931 · protein
Crystal structure of gta + a trisaccharide (mercury derivative)
5TJL · Histo-blood group abo system transferase: “Crystal structure of gta + a trisaccharide (mercury derivative)”. X-ray diffraction, 4 ligands (HSH, FUC, A2G), 2 pockets (best druggability 0.52). MolNFT v1 #134931 on GenesisL1: 3D…
- PDB
- 5TJL
- Type
- protein
- Length
- 260 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
- HSH, FUC, A2G, HG
- Pockets
- 2 · best druggability 0.52
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 22% 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 | 260 | 30% helix, 22% strand | P16442 |
Ligands and binding sites
- HSH · octyl beta-D-galactopyranoside · ligand · chains A
- FUC · alpha-L-fucopyranose · sugar · chains A
- A2G · 2-acetamido-2-deoxy-alpha-D-galactopyranose · sugar · chains A
- HG · Mercury (II) ion · metal · 4 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 196 | 0.52 | 0.77 | 26 | HG |
| 2 | 74 | 0.28 | 0.72 | 16 | FUC, A2G |
Compared structures
- 5TJL · Crystal structure of GTA + A trisaccharide (mercury derivative) · 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 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 5TJL · PDBe 5TJL · UniProt P16442
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