MolNFT v1 · #105756 · protein
Crystal structure of udp-glucose: anthocyanidin 3-O- glucosyltransferase in complex with kaempferol
4REL · Udp-GLUCOSE:ANTHOCYANIDIN 3-O-glucosyltransferase: “Crystal structure of udp-glucose: anthocyanidin 3-O- glucosyltransferase in complex with kaempferol”. X-ray diffraction, 1 ligand (KMP), 3 pockets (best druggability 0.78). MolNFT…
- PDB
- 4REL
- Type
- protein
- Length
- 446 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Udp-GLUCOSE:ANTHOCYANIDIN 3-O-glucosyltransferase
- EC
- 2.4.1.115
- UniProt
- A4F1R4
- Ligands
- KMP
- Pockets
- 3 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 48% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Udp-GLUCOSE:ANTHOCYANIDIN 3-O-glucosyltransferase (EC 2.4.1.115) | protein | 446 | 48% helix, 14% strand | A4F1R4 |
Ligands and binding sites
- KMP · 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one · ligand · chains A
- GOL · Glycerol · additive · 3 copies · chains A
- ACT · Acetate ion · additive · 2 copies · 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 | 1121 | 0.78 | 0.79 | 102 | KMP, GOL, ACT |
| 2 | 132 | 0.41 | 0.75 | 23 | GOL |
| 3 | 76 | 0.31 | 0.73 | 13 | empty |
Compared structures
- 4REL · Crystal structure of UDP-glucose: anthocyanidin 3-O-glucosyltransferase in complex with… · 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 A4F1R4
- Elsewhere: RCSB PDB 4REL · PDBe 4REL · UniProt A4F1R4
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.