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Dissecting the roles of a strictly conserved tyrosine in substrate recognition and catalysis by pseudouridine 55 synthase

Analyse Dissecting the roles of a strictly conserved tyrosine in substrate recognition… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2AB4
Type
protein + RNA
Length
320 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5'-R(*CP*CP*AP*CP*GP*GP*UP*(FHU) P*CP*GP*AP*AP*UP*CP*CP*GP*UP*GP*GP*C)-3'; TRNA…
EC
5.4.99.-
UniProt
Q9WZW0
Ligands
ZN
Pockets
4 · best druggability 0.49

Structure

x-ray diffraction · 2 distinct chains · 21% helix, 35% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
B5'-R(*CP*CP*AP*CP*GP*GP*UP*(FHU) P*CP*GP*AP*AP*UP*CP*CP*GP*UP*GP*GP*C)-3'rna20——
ATRNA pseudouridine synthase B (EC 5.4.99.-)protein30021% helix, 35% strandQ9WZW0

Ligands and binding sites

  • ZN · Zinc ion · metal · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11310.490.7919empty
2620.460.8416empty
31160.330.7217empty
4580.300.7516empty

Interfaces

1 interface between chains.

  • B–A · 1499 Ų buried · 46 hydrogen bonds · protein-nucleic

Modifications

Observed in the structure: 1 disulfide, 1 modified (disulfide, nucleotide modification).

Compared structures

  • 2AB4 · Dissecting the Roles of a Strictly Conserved Tyrosine in Substrate Recognition and… · the same entry in another collection · chain B against B, TM-score 1.00
  • Q9WZW0 · AlphaFold monomer V2.0 prediction for tRNA pseudouridine synthase B (Q9WZW0) · a predicted model of the same protein · chain A against A, TM-score 0.99

Analyse

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