Structure of PDB 7dyx Chain A Binding Site BS02

Receptor Information
>7dyx Chain A (length=233) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STVPRLHRPSLQHFREQFLVPGRPVILKGVADHWPCMQKWSLEYIQEIAG
CRTVPVEVGSRDEEWSQTLMTVNEFISKYIVNEPRDVGYLAQHQLFDQIP
ELKQDISIPDYCSLGDGEEEEITINAWFGPQGTISPLHQDPQQNFLVQVM
GRKYIRLYSPQESGALYPHDTHLLHNTSQVDVENPDLEKFPKFAKAPFLS
CILSPGEILFIPVKYWHYVRALDLSFSVSFWWS
Ligand information
Ligand IDHRR
InChIInChI=1S/C17H16N2O4/c20-16(21)13-7-14(17(22)23)19-9-15(13)18-8-11-3-1-2-4-12(11)10-5-6-10/h1-4,7,9-10,18H,5-6,8H2,(H,20,21)(H,22,23)
InChIKeyJUYCLGIITHNPEH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(c(c1)CNc2cnc(cc2C(=O)O)C(=O)O)C3CC3
CACTVS 3.385OC(=O)c1cc(C(O)=O)c(NCc2ccccc2C3CC3)cn1
FormulaC17 H16 N2 O4
Name5-((2-cyclopropylbenzyl)amino)pyridine-2,4-dicarboxylic acid
ChEMBL
DrugBank
ZINC
PDB chain7dyx 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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PDB7dyx 5-Substituted Pyridine-2,4-dicarboxylate Derivatives Have Potential for Selective Inhibition of Human Jumonji-C Domain-Containing Protein 5.
Resolution2.27 Å
Binding residue
(original residue number in PDB)		W248 Y272 W310 I317 S318 H321 N327 K336 H400
Binding residue
(residue number reindexed from 1)		W65 Y89 W127 I134 S135 H138 N144 K153 H217
Annotation score1
Enzymatic activity
Enzyme Commision number 1.14.11.73: [protein]-arginine 3-hydroxylase.
3.4.-.-
External links
PDB RCSB:7dyx, PDBe:7dyx, PDBj:7dyx
PDBsum7dyx
PubMed37527664
UniProtQ8N371|KDM8_HUMAN Bifunctional peptidase and arginyl-hydroxylase JMJD5 (Gene Name=KDM8)

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