Structure of PDB 5v1b Chain A Binding Site BS02

Receptor Information
>5v1b Chain A (length=226) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PSAPERLALDYIVPCMRYYGICVVDSFLGAALGGRVLAEVEALKRGGRLR
QLVSPRSIRGDQIAWVEGHEPGCRSIGALMAHVDAVIRHCAGRLGSYKIN
GRTKAMVACYPGNGLGYVRHVDNPHGDGRCITCIYYLNQNWDVKVHGGLL
QIFPEGRPVVANIEPLFDRLLIFWSDRRNPHEVKPAYATRYAITVWYFDA
DERARAKDKYQLASGQKGVQVPVSQP
Ligand information
Ligand ID8UY
InChIInChI=1S/C13H8N4/c14-8-10-4-6-11(7-5-10)12-2-1-3-13-15-9-16-17(12)13/h1-7,9H
InChIKeyDEYMFBHALUHGST-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(n2c(c1)ncn2)c3ccc(cc3)C#N
ACDLabs 12.01N#Cc3ccc(c2cccc1ncnn12)cc3
CACTVS 3.385N#Cc1ccc(cc1)c2cccc3ncnn23
FormulaC13 H8 N4
Name4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile
ChEMBLCHEMBL4083851
DrugBank
ZINC
PDB chain5v1b Chain A Residue 504 [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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PDB5v1b 1,2,4-Triazolo-[1,5-a]pyridine HIF Prolylhydroxylase Domain-1 (PHD-1) Inhibitors With a Novel Monodentate Binding Interaction.
Resolution2.49 Å
Binding residue
(original residue number in PDB)		Y287 Y294 H297 I311 Y313 H358 V360 R367 A369
Binding residue
(residue number reindexed from 1)		Y110 Y117 H120 I134 Y136 H181 V183 R190 A192
Annotation score1
Binding affinityMOAD: ic50=0.034uM
PDBbind-CN: -logKd/Ki=7.47,IC50=0.034uM
BindingDB: IC50=34.0nM
Enzymatic activity
Enzyme Commision number 1.14.11.-
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:5v1b, PDBe:5v1b, PDBj:5v1b
PDBsum5v1b
PubMed28594552
UniProtQ96KS0|EGLN2_HUMAN Prolyl hydroxylase EGLN2 (Gene Name=EGLN2)

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