Structure of PDB 5v18 Chain A Binding Site BS01

Receptor Information
>5v18 Chain A (length=215) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QTKPLPALKLALEYIVPCMNKHGICVVDDFLGKETGQQIGDEVRALHDTG
KFTDGQLVSQKDKITWIEGKEPGCETIGLLMSSMDDLIRHCNGKLGSYKI
NGRTKAMVACYPGNGTYVRHVDNPNGDGRCVTCIYYLNKDWDAKVSGGIL
RIFPEGKAQFADIEPKFDRLLFFWSDRRNPHEVQPAYATRYAITVWYFDA
DERARAGEKGVRVEL
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 chain5v18 Chain A Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5v18 1,2,4-Triazolo-[1,5-a]pyridine HIF Prolylhydroxylase Domain-1 (PHD-1) Inhibitors With a Novel Monodentate Binding Interaction.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		Y303 Y310 H313 Y329 H374 V376 R383 A385
Binding residue
(residue number reindexed from 1)		Y111 Y117 H120 Y136 H181 V183 R190 A192
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:5v18, PDBe:5v18, PDBj:5v18
PDBsum5v18
PubMed28594552
UniProtQ9GZT9|EGLN1_HUMAN Egl nine homolog 1 (Gene Name=EGLN1)

[Back to BioLiP]