Research workbench
Crystal structure of ADP-ribosyltransferase vis in complex with M6 inhibitor
Analyse Crystal structure of ADP-ribosyltransferase vis in complex with M6 inhibitor in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4YC0
- Type
- protein
- Length
- 222 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative NAD(+)--arginine ADP-ribosyltransferase vis
- EC
- 2.4.2.31
- UniProt
- A3UNN4
- Ligands
- 5OF
- Pockets
- 2 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative NAD(+)--arginine ADP-ribosyltransferase vis (EC 2.4.2.31) | protein | 222 | 38% helix, 27% strand | A3UNN4 |
Ligands and binding sites
- 5OF · 2-(4-oxidanylidene-3~{H}-phthalazin-1-yl)ethanoic acid · ligand · 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 | 324 | 0.65 | 0.81 | 33 | 5OF |
| 2 | 70 | 0.33 | 0.75 | 17 | empty |
Compared structures
- 4YC0 · Crystal structure of ADP-ribosyltransferase Vis in complex with M6 Inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
- A3UNN4 · AlphaFold monomer V2.0 prediction for putative NAD(+)--arginine ADP- ribosyltransferase… · a predicted model of the same protein · chain A against A, TM-score 0.99
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 A3UNN4
- Elsewhere: RCSB PDB 4YC0 · PDBe 4YC0 · UniProt A3UNN4
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