Structure of PDB 6yvw Chain A Binding Site BS02

Receptor Information
>6yvw Chain A (length=222) 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
VWYFDADERARAKVKYLVRVEL
Ligand information
Ligand IDPW5
InChIInChI=1S/C11H13BrN2O3/c1-6-5-8(13-7(2)11(6)12)14-9(15)3-4-10(16)17/h5H,3-4H2,1-2H3,(H,16,17)(H,13,14,15)
InChIKeyAYWBCWUDJKSIMU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1cc(nc(c1Br)C)NC(=O)CCC(=O)O
CACTVS 3.385Cc1cc(NC(=O)CCC(O)=O)nc(C)c1Br
FormulaC11 H13 Br N2 O3
Name4-[(5-bromanyl-4,6-dimethyl-pyridin-2-yl)amino]-4-oxidanylidene-butanoic acid
ChEMBL
DrugBank
ZINC
PDB chain6yvw 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

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PDB6yvw Use of cyclic peptides to induce crystallization: case study with prolyl hydroxylase domain 2.
Resolution1.97 Å
Binding residue
(original residue number in PDB)		Y310 H313 D315 Y329 H374 R383
Binding residue
(residue number reindexed from 1)		Y123 H126 D128 Y142 H187 R196
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:6yvw, PDBe:6yvw, PDBj:6yvw
PDBsum6yvw
PubMed33319810
UniProtQ9GZT9|EGLN1_HUMAN Egl nine homolog 1 (Gene Name=EGLN1)

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