Structure of PDB 6zbo Chain E Binding Site BS02

Receptor Information
>6zbo Chain E (length=197) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PALKLALEYIVPCMNKHGICVVDDFLGKETGQQIGDEVRALHDTGDKITW
IEGKEPGCETIGLLMSSMDDLIRHCNGKLGSYKINGRTKAMVACYPGNGT
GYVRHVDNPNGDGRCVTCIYYLNKDWDAKVSGGILRIFPEGKAQFADIEP
KFDRLLFFWSDRRNPHEVQPAYATRYAITVWYFDADERARAKVKYLT
Ligand information
Ligand IDQEQ
InChIInChI=1S/C13H14N8O2/c22-13-10(20-2-1-16-18-20)8-17-21(13)12-7-11(14-9-15-12)19-3-5-23-6-4-19/h1-2,7-9,22H,3-6H2
InChIKeyNTIRTFLRBFAPSX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cn(nn1)c2cnn(c2O)c3cc(ncn3)N4CCOCC4
CACTVS 3.385Oc1n(ncc1n2ccnn2)c3cc(ncn3)N4CCOCC4
FormulaC13 H14 N8 O2
Name2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(1,2,3-triazol-1-yl)pyrazol-3-ol;
1-(6-morpholinopyrimidin-4-yl)-4-(1H-1,2,3-triazol-1-yl)-1H-pyrazol-5-ol
ChEMBL
DrugBank
ZINC
PDB chain6zbo Chain E Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6zbo Structural Basis of Prolyl Hydroxylase Domain Inhibition by Molidustat.
Resolution1.79 Å
Binding residue
(original residue number in PDB)		M299 Y303 Y310 H313 D315 V376 R383 W389
Binding residue
(residue number reindexed from 1)		M91 Y95 Y102 H105 D107 V168 R175 W181
Annotation score1
Enzymatic activity
Enzyme Commision number 1.14.11.29: hypoxia-inducible factor-proline dioxygenase.
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0016705 oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
GO:0031418 L-ascorbic acid binding

View graph for
Molecular Function
External links
PDB RCSB:6zbo, PDBe:6zbo, PDBj:6zbo
PDBsum6zbo
PubMed33792169
UniProtQ9GZT9|EGLN1_HUMAN Egl nine homolog 1 (Gene Name=EGLN1)

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