Structure of PDB 2g19 Chain A Binding Site BS02

Receptor Information
>2g19 Chain A (length=216) 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
VWYFDADERARAKVKY
Ligand information
Ligand ID4HG
InChIInChI=1S/C12H9IN2O4/c13-8-3-1-2-6-7(8)4-14-10(11(6)18)12(19)15-5-9(16)17/h1-4,18H,5H2,(H,15,19)(H,16,17)
InChIKeyFUMNLXHPILGSLC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC(=O)CNC(=O)c1ncc2c(I)cccc2c1O
ACDLabs 10.04O=C(O)CNC(=O)c2ncc1c(I)cccc1c2O
OpenEye OEToolkits 1.5.0c1cc2c(cnc(c2O)C(=O)NCC(=O)O)c(c1)I
FormulaC12 H9 I N2 O4
NameN-[(4-HYDROXY-8-IODOISOQUINOLIN-3-YL)CARBONYL]GLYCINE
ChEMBLCHEMBL509064
DrugBankDB07112
ZINCZINC000024800213
PDB chain2g19 Chain A Residue 801 [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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PDB2g19 Cellular oxygen sensing: Crystal structure of hypoxia-inducible factor prolyl hydroxylase (PHD2).
Resolution1.7 Å
Binding residue
(original residue number in PDB)		D254 M299 Y303 Y310 H313 Y329 H374 V376 R383
Binding residue
(residue number reindexed from 1)		D67 M112 Y116 Y123 H126 Y142 H187 V189 R196
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=5.85,IC50=1.4uM
BindingDB: IC50=1400nM
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:2g19, PDBe:2g19, PDBj:2g19
PDBsum2g19
PubMed16782814
UniProtQ9GZT9|EGLN1_HUMAN Egl nine homolog 1 (Gene Name=EGLN1)

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