MolNFT v1 · #15804 · protein
The three-dimensional structure of cocksfoot mottle virus at 2.7A resolution
1NG0 · Coat protein: “The three-dimensional structure of cocksfoot mottle virus at 2.7A resolution”. X-ray diffraction, 1 ligand (CA), 5 pockets (best druggability 0.85). MolNFT v1 #15804 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1NG0
- Type
- protein
- Length
- 602 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Coat protein
- Ligands
- CA
- Pockets
- 5 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 14% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Coat protein | protein | 192 | 13% helix, 40% strand | — |
| C | Coat protein | protein | 218 | 14% helix, 38% strand | — |
Ligands and binding sites
- CA · Calcium ion · metal · 3 copies · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 393 | 0.85 | 0.93 | 51 | empty |
| 2 | 101 | 0.48 | 0.81 | 25 | empty |
| 3 | 74 | 0.44 | 0.81 | 19 | empty |
| 4 | 77 | 0.43 | 0.80 | 22 | empty |
| 5 | 146 | 0.42 | 0.75 | 28 | empty |
Interfaces
3 interfaces between chains.
- B–C · 1316 Ų buried · 24 hydrogen bonds · protein-protein
- A–C · 876 Ų buried · 20 hydrogen bonds · protein-protein
- A–B · 867 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 1NG0 · The three-dimensional structure of Cocksfoot mottle virus at 2.7A resolution · 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
- Elsewhere: RCSB PDB 1NG0 · PDBe 1NG0
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