Structure of PDB 6yvz Chain A Binding Site BS02

Receptor Information
>6yvz 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]
PLPALKLALEYIVPCMNKHGICVVDDFLGKETGQQIGDEVRALHDTGKFT
DGQLVSQKSDSSKDIRGDKITWIEGKEPGCETIGLLMSSMDDLIRHCNGK
LGSYKINGRTKAMVACYPGNGTGYVRHVDNPNGDGRCVTCIYYLNKDWDA
KVSGGILRIFPEGKAQFADIEPKFDRLLFFWSDRRNPHEVQPAYATRYAI
TVWYFDADERARAKVKYLRVEL
Ligand information
Ligand IDPW8
InChIInChI=1S/C13H11BrN2O3/c14-10-3-1-2-8-7-15-11(6-9(8)10)16-12(17)4-5-13(18)19/h1-3,6-7H,4-5H2,(H,18,19)(H,15,16,17)
InChIKeyAJBZFYAXPKNJJI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc2cnc(cc2c(c1)Br)NC(=O)CCC(=O)O
CACTVS 3.385OC(=O)CCC(=O)Nc1cc2c(Br)cccc2cn1
FormulaC13 H11 Br N2 O3
Name4-[(5-bromanylisoquinolin-3-yl)amino]-4-oxidanylidene-butanoic acid
ChEMBL
DrugBank
ZINC
PDB chain6yvz 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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PDB6yvz Use of cyclic peptides to induce crystallization: case study with prolyl hydroxylase domain 2.
Resolution1.91 Å
Binding residue
(original residue number in PDB)		Y310 H313 D315 I327 Y329 H374 V376 R383
Binding residue
(residue number reindexed from 1)		Y124 H127 D129 I141 Y143 H188 V190 R197
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:6yvz, PDBe:6yvz, PDBj:6yvz
PDBsum6yvz
PubMed33319810
UniProtQ9GZT9|EGLN1_HUMAN Egl nine homolog 1 (Gene Name=EGLN1)

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