Structure of PDB 6yvx Chain A Binding Site BS02

Receptor Information
>6yvx Chain A (length=225) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NGQTLPALKLALEYIVPCMNKHGICVVDDFLGKETGQQIGDEVRALHDTG
KFTDGQLVSQDSSKDIRGDKITWIEGKEPGCETIGLLMSSMDDLIRHCNG
KLGSYKINGRTKAMVACYPGNGTGYVRHVDNPNGDGRCVTCIYYLNKDWD
AKVSGGILRIFPEGKAQFADIEPKFDRLLFFWSDRRNPHEVQPAYATRYA
ITVWYFDADERARAKVKYLTGRVEL
Ligand information
Ligand ID2JP
InChIInChI=1S/C13H12N2O3/c16-12(5-6-13(17)18)15-11-7-9-3-1-2-4-10(9)8-14-11/h1-4,7-8H,5-6H2,(H,17,18)(H,14,15,16)
InChIKeyCJIVLGFQCOFDOG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)CCC(=O)Nc2ncc1ccccc1c2
OpenEye OEToolkits 1.7.6c1ccc2cnc(cc2c1)NC(=O)CCC(=O)O
CACTVS 3.385OC(=O)CCC(=O)Nc1cc2ccccc2cn1
FormulaC13 H12 N2 O3
Name4-(isoquinolin-3-ylamino)-4-oxobutanoic acid
ChEMBL
DrugBank
ZINC
PDB chain6yvx Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6yvx Use of cyclic peptides to induce crystallization: case study with prolyl hydroxylase domain 2.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		Y310 H313 D315 I327 Y329 H374 R383
Binding residue
(residue number reindexed from 1)		Y125 H128 D130 I142 Y144 H189 R198
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:6yvx, PDBe:6yvx, PDBj:6yvx
PDBsum6yvx
PubMed33319810
UniProtQ9GZT9|EGLN1_HUMAN Egl nine homolog 1 (Gene Name=EGLN1)

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