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U1A MUTANT/RNA complex + glycerol

Analyse U1A MUTANT/RNA complex + glycerol in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1URN
Type
protein + RNA
Length
344 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
RNA (5'- R(*AP*AP*UP*CP*CP*AP*UP*UP*GP*CP*AP*CP*UP*CP*CP*GP*G P*AP*UP*UP*U)- 3'); Protein…
UniProt
P09012
Ligands
CL
Pockets
6 · best druggability 0.45

Structure

x-ray diffraction · 4 distinct chains · 32% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
PRNA (5'- R(*AP*AP*UP*CP*CP*AP*UP*UP*GP*CP*AP*CP*UP*CP*CP*GP*G P*AP*UP*UP*U)- 3')rna17——
QRNA (5'- R(*AP*AP*UP*CP*CP*AP*UP*UP*GP*CP*AP*CP*UP*CP*CP*GP*G P*AP*UP*UP*U)- 3')rna21——
RRNA (5'- R(*AP*AP*UP*CP*CP*AP*UP*UP*GP*CP*AP*CP*UP*CP*CP*GP*G P*AP*UP*UP*U)- 3')rna18——
A, B, CProtein (U1A)protein9632% helix, 25% strandP09012

Ligands and binding sites

  • CL · Chloride ion · ion · chains A, B
  • GOL · Glycerol · additive · 4 copies · chains B, C, A, R

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

Pockets

6 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11270.450.7722GOL
21840.450.7526empty
31090.450.7818GOL
41270.440.7719empty
51220.410.7621empty

Interfaces

8 interfaces between chains.

  • Q–B · 930 Ų buried · 32 hydrogen bonds · protein-nucleic
  • R–C · 897 Ų buried · 31 hydrogen bonds · protein-nucleic
  • P–A · 890 Ų buried · 31 hydrogen bonds · protein-nucleic
  • A–C · 594 Ų buried · 2 hydrogen bonds · protein-protein
  • A–B · 544 Ų buried · 3 hydrogen bonds · protein-protein

Compared structures

  • 1URN · U1A MUTANT/RNA complex + glycerol · the same entry in another collection · chain P against P, TM-score 1.00

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