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Structural determinants of tissue tropism and in vivo pathogenicity for the parvovirus minute virus of mice

Analyse Structural determinants of tissue tropism and in vivo pathogenicity for the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1Z1C
Type
protein + DNA
Length
570 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5'-D(*AP*TP*CP*CP*TP*CP*TP*AP*TP*CP*AP*C)-3'; 5'-D(*AP*CP*AP*CP*CP*AP*AP*AP*A)-3'; Coat…
UniProt
P07302
Ligands
D5M, CA
Pockets
11 · best druggability 0.60

Structure

x-ray diffraction · 3 distinct chains · 8% helix, 26% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
B5'-D(*AP*TP*CP*CP*TP*CP*TP*AP*TP*CP*AP*C)-3'dna12——
C5'-D(*AP*CP*AP*CP*CP*AP*AP*AP*A)-3'dna9——
ACoat protein VP2protein5498% helix, 26% strandP07302

Ligands and binding sites

  • D5M · 2'-deoxyadenosine-5'-monophosphate · ligand · chains B
  • CA · Calcium ion · metal · 2 copies · chains B

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

Pockets

11 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14810.600.7541empty
22590.590.7936empty
31730.550.8029empty
41580.440.7525empty
51570.420.7318empty

Interfaces

2 interfaces between chains.

  • B–C · 489 Ų buried · 15 hydrogen bonds · nucleic-nucleic
  • B–A · 208 Ų buried · 5 hydrogen bonds · protein-nucleic

Compared structures

  • 1Z1C · Structural Determinants of Tissue Tropism and In Vivo Pathogenicity for the Parvovirus… · the same entry in another collection · chain A against A, TM-score 1.00

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