MolNFT v1 · #118651 · protein + RNA
Enterovirus 71 polymerase elongation complex (C1S4 form)
5F8J · Genome polyprotein: “Enterovirus 71 polymerase elongation complex (C1S4 form)”. X-ray diffraction, 4 ligands (POP, MG, ZN), 5 pockets (best druggability 0.83). MolNFT v1 #118651 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 5F8J
- Type
- protein + RNA
- Length
- 485 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Genome polyprotein; RNA (35-mer); RNA (5'- R(*UP*GP*UP*UP*CP*GP*AP*CP*GP*AP*GP*AP*GP*AP*GP…
- EC
- 2.7.7.48
- UniProt
- E5RPG2
- Ligands
- POP, MG, ZN, SO4
- Pockets
- 5 · best druggability 0.83
Structure
x-ray diffraction · 3 distinct chains · 42% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Genome polyprotein (EC 2.7.7.48) | protein | 462 | 42% helix, 16% strand | E5RPG2 |
| B | RNA (35-mer) | rna | 12 | — | — |
| C | RNA (5'- R(*UP*GP*UP*UP*CP*GP*AP*CP*GP*AP*GP*AP*GP*AP*GP*AP*C)-3') | rna | 11 | — | — |
Ligands and binding sites
- POP · Pyrophosphate 2- · ligand · chains A, C
- MG · Magnesium ion · metal · 2 copies · chains A, C
- ZN · Zinc ion · metal · chains A
- SO4 · Sulfate ion · ion · 2 copies · 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
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 950 | 0.83 | 0.85 | 78 | MG, SO4, POP |
| 2 | 201 | 0.70 | 0.88 | 33 | GOL |
| 3 | 69 | 0.47 | 0.83 | 16 | empty |
| 4 | 53 | 0.45 | 0.84 | 16 | empty |
| 5 | 66 | 0.43 | 0.81 | 20 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1107 Ų buried · 19 hydrogen bonds · protein-nucleic
- A–C · 893 Ų buried · 20 hydrogen bonds · protein-nucleic
- B–C · 506 Ų buried · 47 hydrogen bonds · nucleic-nucleic
Compared structures
- 5F8J · Enterovirus 71 Polymerase Elongation Complex (C1S4 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 E5RPG2
- Elsewhere: RCSB PDB 5F8J · PDBe 5F8J · UniProt E5RPG2
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