MolNFT v1 · #33045 · protein
Structure of the artt motif Q212A mutant C3BOT1 exoenzyme (free state, crystal form I)
2C8D · Mono-ADP-ribosyltransferase C3: “Structure of the artt motif Q212A mutant C3BOT1 exoenzyme (free state, crystal form I)”. X-ray diffraction, 1 ligand (SO4), 8 pockets (best druggability 0.78). MolNFT v1 #33045 on GenesisL1: 3D…
- PDB
- 2C8D
- Type
- protein
- Length
- 815 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mono-ADP-ribosyltransferase C3
- EC
- 2.4.2.-
- UniProt
- P15879
- Ligands
- SO4
- Pockets
- 8 · best druggability 0.78
Structure
x-ray diffraction · 4 distinct chains · 34% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mono-ADP-ribosyltransferase C3 (EC 2.4.2.-) | protein | 202 | 37% helix, 25% strand | P15879 |
| B | Mono-ADP-ribosyltransferase C3 (EC 2.4.2.-) | protein | 202 | 31% helix, 25% strand | P15879 |
| C | Mono-ADP-ribosyltransferase C3 (EC 2.4.2.-) | protein | 208 | 34% helix, 26% strand | P15879 |
| D | Mono-ADP-ribosyltransferase C3 (EC 2.4.2.-) | protein | 203 | 33% helix, 25% strand | P15879 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 5 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 633 | 0.78 | 0.84 | 55 | SO4 |
| 2 | 536 | 0.71 | 0.80 | 59 | empty |
| 3 | 185 | 0.52 | 0.78 | 33 | SO4 |
| 4 | 206 | 0.52 | 0.77 | 26 | empty |
| 5 | 146 | 0.50 | 0.79 | 29 | SO4 |
Interfaces
6 interfaces between chains.
- A–D · 494 Ų buried · 13 hydrogen bonds · protein-protein
- A–C · 418 Ų buried · 8 hydrogen bonds · protein-protein
- B–D · 399 Ų buried · 7 hydrogen bonds · protein-protein
- B–C · 247 Ų buried · 6 hydrogen bonds · protein-protein
- C–D · 216 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 2C8D · Structure of the ARTT motif Q212A mutant C3bot1 Exoenzyme (Free state, crystal form I) · the same entry in another collection · chain B against B, 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 2C8D · PDBe 2C8D · UniProt P15879
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