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Structure of the artt motif Q212A mutant C3BOT1 exoenzyme (free state, crystal form I)
Analyse Structure of the artt motif Q212A mutant C3BOT1 exoenzyme (free state, crystal… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- 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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