MolNFT v1 · #105890 · protein
Chimeric glycosyltransferase LANGT2S8AC, carbasugar substrate complex
4RIH · Glycosyl transferase HOMOLOG,GLYCOSYL transferase: “Chimeric glycosyltransferase LANGT2S8AC, carbasugar substrate complex”. X-ray diffraction, 2 ligands (3R2, MG), 9 pockets (best druggability 0.82). MolNFT v1 #105890 on GenesisL1…
- PDB
- 4RIH
- Type
- protein
- Length
- 742 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glycosyl transferase HOMOLOG,GLYCOSYL transferase
- UniProt
- Q9ZGC0, Q9RPA7
- Ligands
- 3R2, MG
- Pockets
- 9 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glycosyl transferase HOMOLOG,GLYCOSYL transferase | protein | 368 | 46% helix, 15% strand | Q9ZGC0, Q9RPA7 |
| B | Glycosyl transferase HOMOLOG,GLYCOSYL transferase | protein | 374 | 47% helix, 15% strand | Q9ZGC0, Q9RPA7 |
Ligands and binding sites
- 3R2 · 2'-deoxy-5'-O-[(R)-{[(R)-{[(1S,3R,4R,5S)-3,4-dihydroxy-5-methylcyclohexyl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3,4-dihydrothymidine · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 397 | 0.82 | 0.90 | 55 | 3R2 |
| 2 | 397 | 0.82 | 0.90 | 55 | 3R2 |
| 3 | 164 | 0.60 | 0.83 | 31 | empty |
| 4 | 141 | 0.58 | 0.83 | 23 | empty |
| 5 | 176 | 0.48 | 0.76 | 34 | empty |
Interfaces
1 interface between chains.
- A–B · 1516 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 4RIH · Chimeric Glycosyltransferase LanGT2S8Ac, carbasugar substrate complex · the same entry in another collection · 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 Q9ZGC0
- Every structure of UniProt Q9RPA7
- Elsewhere: RCSB PDB 4RIH · PDBe 4RIH · UniProt Q9ZGC0 · UniProt Q9RPA7
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