MolNFT v1 · #160550 · protein
In situ structure of btv RNA-dependent RNA polymerase in btv virion
6PNS · RNA-directed RNA polymerase: “In situ structure of btv RNA-dependent RNA polymerase in btv virion”. Electron microscopy, 20 pockets (best druggability 0.85). MolNFT v1 #160550 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 6PNS
- Type
- protein
- Length
- 10,064 residues
- Chains
- 11
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- RNA-directed RNA polymerase; Inner core structural protein VP3
- EC
- 2.7.7.48
- UniProt
- W0G557, Q1AE73
- Pockets
- 20 · best druggability 0.85
Structure
electron microscopy · 7 distinct chains · 36% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | RNA-directed RNA polymerase (EC 2.7.7.48) | protein | 1291 | 41% helix, 11% strand | W0G557 |
| B | Inner core structural protein VP3 | protein | 873 | 34% helix, 17% strand | Q1AE73 |
| C, E, G, I, K | Inner core structural protein VP3 | protein | 885 | 34% helix, 13% strand | Q1AE73 |
| D | Inner core structural protein VP3 | protein | 865 | 35% helix, 16% strand | Q1AE73 |
| F | Inner core structural protein VP3 | protein | 867 | 36% helix, 16% strand | Q1AE73 |
| H | Inner core structural protein VP3 | protein | 874 | 35% helix, 16% strand | Q1AE73 |
| J | Inner core structural protein VP3 | protein | 869 | 33% helix, 17% strand | Q1AE73 |
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 681 | 0.85 | 0.89 | 67 | empty |
| 2 | 1097 | 0.85 | 0.86 | 112 | empty |
| 3 | 973 | 0.85 | 0.86 | 98 | empty |
| 4 | 767 | 0.85 | 0.88 | 98 | empty |
| 5 | 389 | 0.85 | 0.93 | 53 | empty |
Interfaces
22 interfaces between chains.
- G–H · 2917 Ų buried · 21 hydrogen bonds · protein-protein
- C–D · 2907 Ų buried · 20 hydrogen bonds · protein-protein
- B–C · 2906 Ų buried · 30 hydrogen bonds · protein-protein
- H–I · 2853 Ų buried · 27 hydrogen bonds · protein-protein
- B–K · 2850 Ų buried · 23 hydrogen bonds · protein-protein
Compared structures
- 6PNS · In situ structure of BTV RNA-dependent RNA polymerase in BTV virion · the same entry in another collection · chain G against G, 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 W0G557
- Every structure of UniProt Q1AE73
- Elsewhere: RCSB PDB 6PNS · PDBe 6PNS · UniProt W0G557 · UniProt Q1AE73
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