MolNFT v2 · #112826 · protein
The structure of the S37P MS2 viral capsid assembly.
4ZOR · Coat protein: “The structure of the S37P MS2 viral capsid assembly.”. X-ray diffraction at 2.2, 1 ligand (PO4), 4 pockets (best druggability 0.34). MolNFT v2 #112826 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4ZOR
- Type
- protein
- Length
- 630 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.2
- Source
- Enterobacteria phage MS2
- Molecule
- Coat protein
- UniProt
- P03612
- Ligands
- PO4
- Pockets
- 4 · best druggability 0.34
Structure
x-ray diffraction · resolution 2.2 · 5 distinct chains · 19% helix, 46% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Coat protein | protein | 128 | 19% helix, 49% strand | P03612 |
| B | Coat protein | protein | 123 | 20% helix, 39% strand | P03612 |
| C | Coat protein | protein | 124 | 19% helix, 48% strand | P03612 |
| D | Coat protein | protein | 126 | 19% helix, 47% strand | P03612 |
| E | Coat protein | protein | 129 | 19% helix, 49% strand | P03612 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 4 copies · chains A, B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 100 | 0.34 | 0.72 | 17 | empty |
| 2 | 89 | 0.34 | 0.73 | 21 | empty |
| 3 | 60 | 0.29 | 0.73 | 13 | empty |
| 4 | 64 | 0.28 | 0.71 | 11 | empty |
Interfaces
5 interfaces between chains.
- A–E · 459 Ų buried · 5 hydrogen bonds · protein-protein
- A–B · 427 Ų buried · 5 hydrogen bonds · protein-protein
- D–E · 405 Ų buried · 5 hydrogen bonds · protein-protein
- C–D · 325 Ų buried · 5 hydrogen bonds · protein-protein
- B–C · 296 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 4ZOR · The structure of the S37P MS2 viral capsid assembly. · 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 P03612
- Elsewhere: RCSB PDB 4ZOR · PDBe 4ZOR · UniProt P03612
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