MolNFT v1 · #147350 · protein
Structure of vacv poxin in post-reactive state with GP[2'-5']AP[3']
6EA9 · Protein B2: “Structure of vacv poxin in post-reactive state with GP[2'-5']AP[3']”. X-ray diffraction, 1 ligand (9BG), 14 pockets (best druggability 0.76). MolNFT v1 #147350 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 6EA9
- Type
- protein
- Length
- 975 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein B2
- UniProt
- Q01225
- Ligands
- 9BG
- Pockets
- 14 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 8% helix, 46% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, D, E | Protein B2 | protein | 195 | 9% helix, 46% strand | Q01225 |
| C | Protein B2 | protein | 195 | 8% helix, 46% strand | Q01225 |
Ligands and binding sites
- 9BG · 2',5'-GpAp · ligand · 5 copies · chains A, B, C, D, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 483 | 0.76 | 0.84 | 59 | 9BG |
| 2 | 522 | 0.76 | 0.83 | 57 | 9BG |
| 3 | 498 | 0.75 | 0.83 | 60 | 9BG |
| 4 | 473 | 0.75 | 0.84 | 58 | 9BG |
| 5 | 104 | 0.50 | 0.81 | 20 | empty |
Interfaces
4 interfaces between chains.
- A–B · 1531 Ų buried · 27 hydrogen bonds · protein-protein
- C–D · 1509 Ų buried · 27 hydrogen bonds · protein-protein
- A–E · 174 Ų buried · 3 hydrogen bonds · protein-protein
- B–C · 114 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 6EA9 · Structure of VACV Poxin in post-reactive state with Gp[2'-5']Ap[3'] · 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
- Every structure of UniProt Q01225
- Elsewhere: RCSB PDB 6EA9 · PDBe 6EA9 · UniProt Q01225
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