MolNFT v1 · #88358 · protein
Crystal structure of the asymmetric human metapneumovirus M2-1 tetramer bound to adenosine monophosphate
4CS9: “Crystal structure of the asymmetric human metapneumovirus M2-1 tetramer bound to adenosine monophosphate”. X-ray diffraction, 2 ligands (AMP, ZN), 10 pockets (best druggability 0.81). MolNFT v1 #88358 on GenesisL1: 3D structure…
- PDB
- 4CS9
- Type
- protein
- Length
- 651 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- M2-1
- UniProt
- Q8QN58
- Ligands
- AMP, ZN
- Pockets
- 10 · best druggability 0.81
Structure
x-ray diffraction · 4 distinct chains · 66% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | M2-1 | protein | 158 | 67% helix, 1% strand | Q8QN58 |
| B | M2-1 | protein | 164 | 68% helix, 2% strand | Q8QN58 |
| C | M2-1 | protein | 165 | 65% helix, 1% strand | Q8QN58 |
| E | M2-1 | protein | 164 | 64% helix, 1% strand | Q8QN58 |
Ligands and binding sites
- AMP · Adenosine monophosphate · ligand · 4 copies · chains A, C, B, E
- ZN · Zinc ion · metal · 4 copies · chains A, B, C, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 292 | 0.81 | 0.92 | 46 | empty |
| 2 | 585 | 0.77 | 0.84 | 66 | empty |
| 3 | 312 | 0.64 | 0.80 | 28 | empty |
| 4 | 217 | 0.59 | 0.80 | 33 | empty |
| 5 | 87 | 0.50 | 0.83 | 20 | empty |
Interfaces
6 interfaces between chains.
- B–E · 2498 Ų buried · 40 hydrogen bonds · protein-protein
- A–E · 1774 Ų buried · 33 hydrogen bonds · protein-protein
- A–C · 1694 Ų buried · 30 hydrogen bonds · protein-protein
- B–C · 844 Ų buried · 15 hydrogen bonds · protein-protein
- C–E · 754 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 4CS9 · Crystal structure of the asymmetric human metapneumovirus M2-1 tetramer bound to… · 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 Q8QN58
- Elsewhere: RCSB PDB 4CS9 · PDBe 4CS9 · UniProt Q8QN58
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