MolNFT v1 · #109099 · protein + RNA
Bat influenza a polymerase with bound vrna promoter
4WSB · Polymerase pa: “Bat influenza a polymerase with bound vrna promoter”. X-ray diffraction, 2 ligands (ZN, PO4), 20 pockets (best druggability 0.86). MolNFT v1 #109099 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4WSB
- Type
- protein + RNA
- Length
- 2,206 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Polymerase pa; RNA-directed RNA polymerase catalytic subunit; Polymerase PB2; Influenza a…
- EC
- 2.7.7.48
- UniProt
- H6QM92, H6QM91, H6QM90
- Ligands
- ZN, PO4
- Pockets
- 20 · best druggability 0.86
Structure
x-ray diffraction · 5 distinct chains · 42% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Polymerase pa | protein | 699 | 43% helix, 18% strand | H6QM92 |
| B | RNA-directed RNA polymerase catalytic subunit (EC 2.7.7.48) | protein | 745 | 46% helix, 15% strand | H6QM91 |
| C | Polymerase PB2 | protein | 734 | 36% helix, 22% strand | H6QM90 |
| R | Influenza a polymerase vrna promoter 3' end | rna | 12 | — | — |
| V | Influenza a polymerase vrna promoter 5' end | rna | 16 | — | — |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 18 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1147 | 0.86 | 0.87 | 113 | PO4 |
| 2 | 399 | 0.81 | 0.90 | 61 | empty |
| 3 | 527 | 0.80 | 0.87 | 79 | PO4 |
| 4 | 321 | 0.79 | 0.90 | 56 | empty |
| 5 | 377 | 0.79 | 0.89 | 62 | empty |
Interfaces
9 interfaces between chains.
- A–B · 9037 Ų buried · 146 hydrogen bonds · protein-protein
- B–C · 7353 Ų buried · 86 hydrogen bonds · protein-protein
- A–C · 1568 Ų buried · 15 hydrogen bonds · protein-protein
- A–V · 1287 Ų buried · 29 hydrogen bonds · protein-nucleic
- B–V · 808 Ų buried · 16 hydrogen bonds · protein-nucleic
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 H6QM92
- Every structure of UniProt H6QM91
- Every structure of UniProt H6QM90
- Elsewhere: RCSB PDB 4WSB · PDBe 4WSB · UniProt H6QM92 · UniProt H6QM91 · UniProt H6QM90
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