MolNFT v1 · #33047 · protein
Structure of the artt motif E214N mutant C3BOT1 exoenzyme (NAD-bound state, crystal form III)
2C8F · Mono-ADP-ribosyltransferase C3: “Structure of the artt motif E214N mutant C3BOT1 exoenzyme (NAD-bound state, crystal form III)”. X-ray diffraction, 1 ligand (NAD), 6 pockets (best druggability 0.61). MolNFT v1 #33047 on GenesisL1…
- PDB
- 2C8F
- Type
- protein
- Length
- 604 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mono-ADP-ribosyltransferase C3
- EC
- 2.4.2.-
- UniProt
- P15879
- Ligands
- NAD
- Pockets
- 6 · best druggability 0.61
Structure
x-ray diffraction · 2 distinct chains · 33% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| E | Mono-ADP-ribosyltransferase C3 (EC 2.4.2.-) | protein | 202 | 31% helix, 25% strand | P15879 |
| F, G | Mono-ADP-ribosyltransferase C3 (EC 2.4.2.-) | protein | 201 | 35% helix, 25% strand | P15879 |
Ligands and binding sites
- NAD · Nicotinamide-adenine-dinucleotide · ligand · chains E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 287 | 0.61 | 0.79 | 42 | empty |
| 2 | 239 | 0.59 | 0.80 | 34 | NAD |
| 3 | 303 | 0.54 | 0.75 | 39 | empty |
| 4 | 224 | 0.52 | 0.76 | 26 | empty |
| 5 | 147 | 0.47 | 0.77 | 29 | empty |
Interfaces
2 interfaces between chains.
- E–F · 439 Ų buried · 10 hydrogen bonds · protein-protein
- F–G · 283 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 2C8F · Structure of the ARTT motif E214N mutant C3bot1 Exoenzyme (NAD-bound state, crystal form… · the same entry in another collection · chain E against E, 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 P15879
- Elsewhere: RCSB PDB 2C8F · PDBe 2C8F · UniProt P15879
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