Structure of PDB 5ox5 Chain A Binding Site BS02

Receptor Information
>5ox5 Chain A (length=221) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LPALKLALEYIVPCMNKHGICVVDDFLGKETGQQIGDEVRALHDTGKFTD
GQLVSQKSDSSKDIRGDKITWIEGKEPGCETIGLLMSSMDDLIRHCNGKL
GSYKINGRTKAMVACYPGNGTGYVRHVDNPNGDGRCVTCIYYLNKDWDAK
VSGGILRIFPEGKAQFADIEPKFDRLLFFWSDRRNPHEVQPAYATRYAIT
VWYFDADERARAKVKYVRVEL
Ligand information
Ligand IDB2E
InChIInChI=1S/C9H11N3O6/c1-11-7(16)5(6(15)10-3-4(13)14)8(17)12(2)9(11)18/h16H,3H2,1-2H3,(H,10,15)(H,13,14)
InChIKeyFFGCBWXERBBRBA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CN1C(=C(C(=O)NCC(O)=O)C(=O)N(C)C1=O)O
OpenEye OEToolkits 2.0.6CN1C(=C(C(=O)N(C1=O)C)C(=O)NCC(=O)O)O
FormulaC9 H11 N3 O6
Name(6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonyl)glycine
ChEMBL
DrugBank
ZINC
PDB chain5ox5 Chain A Residue 502 [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]
PDB5ox5 Molecular and cellular mechanisms of HIF prolyl hydroxylase inhibitors in clinical trials.
Resolution2.251 Å
Binding residue
(original residue number in PDB)		D254 M299 Y303 Y310 H313 Y329 L343 H374 V376 R383
Binding residue
(residue number reindexed from 1)		D67 M112 Y116 Y123 H126 Y142 L156 H187 V189 R196
Annotation score1
Binding affinityMOAD: ic50=2.6uM
PDBbind-CN: -logKd/Ki=5.59,IC50=2.6uM
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:5ox5, PDBe:5ox5, PDBj:5ox5
PDBsum5ox5
PubMed29435217
UniProtQ9GZT9|EGLN1_HUMAN Egl nine homolog 1 (Gene Name=EGLN1)

[Back to BioLiP]