MolNFT v1 · #164327 · protein
Complex between a udp-glucosyltransferase from polygonum tinctorium capable of glucosylating indoxyl and 3,4-dichloroaniline
6SU7 · Glycosyltransferase: “Complex between a udp-glucosyltransferase from polygonum tinctorium capable of glucosylating indoxyl and…”. X-ray diffraction, 1 ligand (LV5), 20 pockets (best druggability 0.80). MolNFT v1 #164327 on…
- PDB
- 6SU7
- Type
- protein
- Length
- 1,794 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glycosyltransferase
- EC
- 2.4.1.-
- UniProt
- A0A2R2JFJ4
- Ligands
- LV5
- Pockets
- 20 · best druggability 0.80
Structure
x-ray diffraction · 3 distinct chains · 43% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Glycosyltransferase (EC 2.4.1.-) | protein | 452 | 43% helix, 14% strand | A0A2R2JFJ4 |
| C | Glycosyltransferase (EC 2.4.1.-) | protein | 446 | 44% helix, 14% strand | A0A2R2JFJ4 |
| D | Glycosyltransferase (EC 2.4.1.-) | protein | 444 | 43% helix, 14% strand | A0A2R2JFJ4 |
Ligands and binding sites
- LV5 · 3,4-Dichloroaniline · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1076 | 0.80 | 0.82 | 130 | LV5 |
| 2 | 1125 | 0.77 | 0.79 | 105 | empty |
| 3 | 671 | 0.72 | 0.79 | 58 | empty |
| 4 | 438 | 0.71 | 0.81 | 49 | empty |
| 5 | 586 | 0.67 | 0.77 | 52 | empty |
Interfaces
5 interfaces between chains.
- B–C · 1001 Ų buried · 5 hydrogen bonds · protein-protein
- A–D · 999 Ų buried · 6 hydrogen bonds · protein-protein
- B–D · 391 Ų buried · 3 hydrogen bonds · protein-protein
- A–B · 266 Ų buried · 2 hydrogen bonds · protein-protein
- C–D · 255 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 6SU7 · Complex between a UDP-glucosyltransferase from Polygonum tinctorium capable of… · 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 A0A2R2JFJ4
- Elsewhere: RCSB PDB 6SU7 · PDBe 6SU7 · UniProt A0A2R2JFJ4
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