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Crystal structures at 2.5 ångströms resolution of seryl-tRNA synthetase complexed with two different analogues of seryl-adenylate

Analyse Crystal structures at 2.5 ångströms resolution of seryl-tRNA synthetase… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1SET
Type
protein
Length
842 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Seryl-tRNA synthetase
EC
6.1.1.11
UniProt
P34945
Ligands
SSA
Pockets
8 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BSeryl-tRNA synthetase (EC 6.1.1.11)protein42145% helix, 21% strandP34945

Ligands and binding sites

  • SSA · 5'-O-(N-(L-seryl)-sulfamoyl)adenosine · ligand · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16080.760.8355SSA
26460.750.8160SSA
3890.560.8619empty
4820.390.7717empty
5540.390.8116empty

Interfaces

1 interface between chains.

  • A–B · 2345 Ų buried · 33 hydrogen bonds · protein-protein

Compared structures

  • 1SET · Crystal structures at 2.5 ångströms resolution of seryl-tRNA synthetase complexed with… · the same entry in another collection · chain A against A, TM-score 1.00
  • P34945 · AlphaFold monomer V2.0 prediction for serine--tRNA ligase (P34945) · a predicted model of the same protein · chain A against A, TM-score 0.98

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