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MolNFT v1 · #125523 · protein

Hif prolyl hydroxylase 2 (PHD2/EGLN1) I280V/R281L/I292V variant in complex with MN(II) and N-[(1-chloro-4-hydroxyisoquinolin-3-yl) CARBONYL]GLYCINE (IOX3/FG2216)

5LBC · Egl nine homolog 1: “Hif prolyl hydroxylase 2 (PHD2/EGLN1) I280V/R281L/I292V variant in complex with MN(II) and…”. X-ray diffraction, 5 ligands (UN9, BCT, MN), 1 pocket (best druggability 0.65). MolNFT v1 #125523 on GenesisL1: 3D…

PDB
5LBC
Type
protein
Length
222 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Egl nine homolog 1
EC
1.14.11.29
UniProt
Q9GZT9
Ligands
UN9, BCT, MN, SO4, CL
Pockets
1 · best druggability 0.65

Structure

x-ray diffraction · 1 distinct chain · 30% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AEgl nine homolog 1 (EC 1.14.11.29)protein22230% helix, 29% strandQ9GZT9

Ligands and binding sites

  • UN9 · N-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]glycine · ligand · chains A
  • BCT · Bicarbonate ion · ligand · chains A
  • MN · Manganese (II) ion · metal · chains A
  • SO4 · Sulfate ion · ion · 2 copies · chains A
  • CL · Chloride ion · ion · chains A
  • GOL · Glycerol · additive · 2 copies · chains A

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11220.650.8822MN, UN9

Compared structures

  • 5LBC · HIF prolyl hydroxylase 2 (PHD2/EGLN1) I280V/R281L/I292V variant in complex with Mn(II)… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9GZT9 · AlphaFold monomer V2.0 prediction for egl nine homolog 1 (Q9GZT9) · a predicted model of the same protein · chain A against A, TM-score 0.92

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