MolNFT v1 · #72906 · protein + RNA
Mutant P169S of foot-and-mouth disease virus RNA dependent RNA- polymerase
3NMA · 3D polymerase: “Mutant P169S of foot-and-mouth disease virus RNA dependent RNA- polymerase”. X-ray diffraction, 1 ligand (MG), 3 pockets (best druggability 0.77). MolNFT v1 #72906 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3NMA
- Type
- protein + RNA
- Length
- 481 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3D polymerase; 5'-R(*GP*GP*C)-3'; 5'-R(P*CP*C)-3'
- UniProt
- Q9QCE4
- Ligands
- MG
- Pockets
- 3 · best druggability 0.77
Structure
x-ray diffraction · 3 distinct chains · 41% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3D polymerase | protein | 476 | 41% helix, 17% strand | Q9QCE4 |
| B | 5'-R(*GP*GP*C)-3' | rna | 3 | — | — |
| C | 5'-R(P*CP*C)-3' | rna | 2 | — | — |
Ligands and binding sites
- MG · Magnesium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 991 | 0.77 | 0.79 | 69 | empty |
| 2 | 158 | 0.56 | 0.81 | 24 | empty |
| 3 | 50 | 0.51 | 0.88 | 15 | empty |
Interfaces
3 interfaces between chains.
- A–B · 397 Ų buried · 8 hydrogen bonds · protein-nucleic
- A–C · 274 Ų buried · 1 hydrogen bond · protein-nucleic
- B–C · 136 Ų buried · 11 hydrogen bonds · nucleic-nucleic
Compared structures
- 3NMA · Mutant P169S of Foot-and-mouth disease Virus RNA dependent RNA-polymerase · 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 Q9QCE4
- Elsewhere: RCSB PDB 3NMA · PDBe 3NMA · UniProt Q9QCE4
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