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Crystal structure of hypoxia-inducible factor prolyl hydroxylase (PHD2) with (S)-{2-[2-(5-cyano-3-hydroxy-pyridin-2-yl)-thiazol-4-yl]- acetylamino}-phenyl-acetic acid

Analyse Crystal structure of hypoxia-inducible factor prolyl hydroxylase (PHD2) with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4KBZ
Type
protein
Length
231 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
1QA, FE2, SO4
Pockets
1 · best druggability 0.69

Structure

x-ray diffraction · 1 distinct chain · 28% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AEgl nine homolog 1 (EC 1.14.11.29)protein23128% helix, 27% strandQ9GZT9

Ligands and binding sites

  • 1QA · (2S)-({[2-(5-cyano-3-hydroxypyridin-2-yl)-1,3-thiazol-4-yl]acetyl}amino)(phenyl)ethanoic acid · ligand · chains A
  • FE2 · Fe (II) ion · metal · chains A
  • SO4 · Sulfate ion · ion · 3 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
12190.690.85341QA, FE2

Compared structures

  • 4KBZ · Crystal Structure of Hypoxia-Inducible Factor Prolyl Hydroxylase (PHD2) with… · 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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