MolNFT v1 · #155092 · protein + RNA
Crystal structure of enterovirus 71 polymerase elongation complex (native form)
6KWQ · RNA-dependent RNA polymerase: “Crystal structure of enterovirus 71 polymerase elongation complex (native form)”. X-ray diffraction, 2 ligands (MG, ZN), 7 pockets (best druggability 0.80). MolNFT v1 #155092 on GenesisL1: 3D…
- PDB
- 6KWQ
- Type
- protein + RNA
- Length
- 504 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- RNA-dependent RNA polymerase; RNA (31-mer); RNA…
- EC
- 2.7.7.48
- UniProt
- A0A023RBB6
- Ligands
- MG, ZN
- Pockets
- 7 · best druggability 0.80
Structure
x-ray diffraction · 3 distinct chains · 43% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | RNA-dependent RNA polymerase (EC 2.7.7.48) | protein | 462 | 43% helix, 16% strand | A0A023RBB6 |
| B | RNA (31-mer) | rna | 31 | — | — |
| C | RNA (5'-R(*UP*GP*UP*UP*CP*CP*GP*AP*GP*AP*GP*A)-3') | rna | 11 | — | — |
Ligands and binding sites
- MG · Magnesium ion · metal · 5 copies · chains A, B, C
- ZN · Zinc ion · metal · chains A
- PEG · Di(hydroxyethyl)ether · additive · chains A
- GOL · Glycerol · additive · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 996 | 0.80 | 0.82 | 63 | MG |
| 2 | 347 | 0.70 | 0.83 | 32 | GOL |
| 3 | 174 | 0.68 | 0.87 | 31 | empty |
| 4 | 322 | 0.51 | 0.74 | 27 | MG |
| 5 | 59 | 0.50 | 0.86 | 15 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1501 Ų buried · 33 hydrogen bonds · protein-nucleic
- A–C · 737 Ų buried · 13 hydrogen bonds · protein-nucleic
- B–C · 521 Ų buried · 40 hydrogen bonds · nucleic-nucleic
Compared structures
- 6KWQ · Crystal structure of enterovirus 71 polymerase elongation complex (native form) · 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 A0A023RBB6
- Elsewhere: RCSB PDB 6KWQ · PDBe 6KWQ · UniProt A0A023RBB6
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.