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MolNFT v1 · #65519 · protein

Structure of human selenocysteine lyase

3GZC: “Structure of human selenocysteine lyase”. X-ray diffraction, 1 ligand (PLR), 12 pockets (best druggability 0.82). MolNFT v1 #65519 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
3GZC
Type
protein
Length
805 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Selenocysteine lyase
EC
4.4.1.16
UniProt
Q96I15
Ligands
PLR
Pockets
12 · best druggability 0.82

Structure

x-ray diffraction · 2 distinct chains · 46% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASelenocysteine lyase (EC 4.4.1.16)protein40347% helix, 15% strandQ96I15
BSelenocysteine lyase (EC 4.4.1.16)protein40244% helix, 16% strandQ96I15

Ligands and binding sites

  • PLR · (5-hydroxy-4,6-dimethylpyridin-3-yl)methyl dihydrogen phosphate · ligand · 2 copies · chains A, B

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

Pockets

12 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18160.820.85128PLR
24320.750.8435empty
3930.420.7924empty
4940.420.7826empty
5540.410.8114empty

Interfaces

1 interface between chains.

  • A–B · 2191 Ų buried · 17 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 covalent (covalent ligand).

Compared structures

  • 3GZC · Structure of human selenocysteine lyase · the same entry in another collection · chain B against B, TM-score 1.00
  • Q96I15 · AlphaFold monomer V2.0 prediction for selenocysteine lyase (Q96I15) · a predicted model of the same protein · chain A against A, TM-score 0.99

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