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The crystal structure of Y334C mutant of human sepsecs in complex with selenocysteine tRNA (trnasec)

Analyse The crystal structure of Y334C mutant of human sepsecs in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4ZDP
Type
protein + RNA
Length
1,847 residues
Chains
5
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
O-phosphoseryl-TRNA(SEC) selenium transferase; Selenocysteine tRNA
EC
2.9.1.2
UniProt
Q9HD40
Ligands
PLR, PO4
Pockets
16 · best druggability 0.72

Structure

x-ray diffraction · 3 distinct chains · 45% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AO-phosphoseryl-TRNA(SEC) selenium transferase (EC 2.9.1.2)protein44445% helix, 15% strandQ9HD40
B, C, DO-phosphoseryl-TRNA(SEC) selenium transferase (EC 2.9.1.2)protein44345% helix, 15% strandQ9HD40
ESelenocysteine tRNArna74——

Ligands and binding sites

  • PLR · (5-hydroxy-4,6-dimethylpyridin-3-yl)methyl dihydrogen phosphate · ligand · 4 copies · chains A, B, C, D
  • PO4 · Phosphate ion · ion · 4 copies · chains A, B, C, D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19390.720.7745empty
26690.680.7745empty
33100.590.7743PLR
42950.590.7843PLR
53660.590.7634empty

Interfaces

6 interfaces between chains.

  • A–E · 574 Ų buried · 3 hydrogen bonds · protein-nucleic
  • C–E · 415 Ų buried · 6 hydrogen bonds · protein-nucleic
  • B–E · 294 Ų buried · 5 hydrogen bonds · protein-nucleic
  • D–E · 142 Ų buried · 3 hydrogen bonds · protein-nucleic
  • A–B · 125 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 covalent (covalent ligand).

Compared structures

  • 4ZDP · The crystal structure of Y334C mutant of human SepSecS in complex with selenocysteine… · the same entry in another collection · chain B against B, TM-score 1.00
  • Q9HD40 · AlphaFold monomer V2.0 prediction for O-phosphoseryl-TRNA(SEC) selenium transferase… · a predicted model of the same protein · chain B against A, TM-score 0.99

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