MolNFT v1 · #173884 · protein + RNA
Structure of CAN2 from sulfobacillus thermosulfidooxidans in complex with cyclic tetra-adenylate (CA4)
7BDV: “Structure of CAN2 from sulfobacillus thermosulfidooxidans in complex with cyclic tetra-adenylate (CA4)”. X-ray diffraction, 14 pockets (best druggability 0.75). MolNFT v1 #173884 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 7BDV
- Type
- protein + RNA
- Length
- 1,387 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- CAN2; Cyclic tetra-adenylate
- Pockets
- 14 · best druggability 0.75
Structure
x-ray diffraction · 5 distinct chains · 42% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | CAN2 | protein | 355 | 42% helix, 22% strand | — |
| B | CAN2 | protein | 342 | 42% helix, 22% strand | — |
| C | CAN2 | protein | 341 | 42% helix, 22% strand | — |
| D | CAN2 | protein | 341 | 44% helix, 22% strand | — |
| F, H | Cyclic tetra-adenylate | rna | 4 | — | — |
Pockets
14 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 922 | 0.75 | 0.79 | 64 | empty |
| 2 | 1115 | 0.74 | 0.77 | 98 | empty |
| 3 | 1077 | 0.74 | 0.77 | 74 | empty |
| 4 | 70 | 0.63 | 0.92 | 16 | empty |
| 5 | 65 | 0.59 | 0.90 | 20 | empty |
Interfaces
7 interfaces between chains.
- A–B · 1711 Ų buried · 25 hydrogen bonds · protein-protein
- C–D · 1671 Ų buried · 26 hydrogen bonds · protein-protein
- A–F · 607 Ų buried · 12 hydrogen bonds · protein-nucleic
- C–H · 602 Ų buried · 11 hydrogen bonds · protein-nucleic
- B–F · 601 Ų buried · 12 hydrogen bonds · protein-nucleic
Modifications
Observed in the structure: 12 modified (engineered).
Compared structures
- 7BDV · Structure of Can2 from Sulfobacillus thermosulfidooxidans in complex with cyclic… · 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
- Elsewhere: RCSB PDB 7BDV · PDBe 7BDV
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