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X-ray structure of melon necrotic spot virus

Analyse X-ray structure of melon necrotic spot virus in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2ZAH
Type
protein
Length
923 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Coat protein
UniProt
Q3LHM1
Ligands
CA, UNX
Pockets
7 · best druggability 0.72

Structure

x-ray diffraction · 2 distinct chains · 7% helix, 43% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BCoat proteinprotein2967% helix, 46% strandQ3LHM1
CCoat proteinprotein3317% helix, 41% strandQ3LHM1

Ligands and binding sites

  • CA · Calcium ion · metal · 4 copies · chains A, C, B
  • UNX · Unknown atom or ion · ion

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

7 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14730.720.8138empty
24220.640.7851empty
32100.610.8237empty
43100.580.7747empty
52330.530.7735empty

Interfaces

3 interfaces between chains.

  • A–B · 703 Ų buried · 12 hydrogen bonds · protein-protein
  • A–C · 683 Ų buried · 15 hydrogen bonds · protein-protein
  • B–C · 666 Ų buried · 11 hydrogen bonds · protein-protein

Compared structures

  • 2ZAH · X-ray structure of Melon necrotic spot virus · the same entry in another collection · chain A against A, TM-score 1.00

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