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Structure of human dcps bound to M7GDP

Analyse Structure of human dcps bound to M7GDP in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1XMM
Type
protein
Length
1,156 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Heat shock-like protein 1
Ligands
G7M, M7G, PO4
Pockets
14 · best druggability 0.86

Structure

x-ray diffraction · 4 distinct chains · 33% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
BHeat shock-like protein 1protein28833% helix, 29% strand—
AHeat shock-like protein 1protein28733% helix, 29% strand—
CHeat shock-like protein 1protein28933% helix, 29% strand—
DHeat shock-like protein 1protein29232% helix, 29% strand—

Ligands and binding sites

  • G7M · N7-methyl-guanosine-5'-monophosphate · ligand · 2 copies · chains B, C
  • M7G · 7N-methyl-8-hydroguanosine-5'-diphosphate · ligand · 2 copies · chains B, A, C, D
  • PO4 · Phosphate ion · ion · 4 copies · chains B, A, C, D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110080.860.8789PO4, M7G
211860.860.87121PO4, M7G
31760.780.9430empty
41620.750.9229empty
54760.690.7938empty

Interfaces

4 interfaces between chains.

  • C–D · 4890 Ų buried · 80 hydrogen bonds · protein-protein
  • B–A · 4875 Ų buried · 77 hydrogen bonds · protein-protein
  • B–D · 688 Ų buried · 15 hydrogen bonds · protein-protein
  • B–C · 132 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 1XMM · Structure of human Dcps bound to m7GDP · the same entry in another collection · chain B against B, TM-score 1.00

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