Structure of PDB 7dyu Chain A Binding Site BS02

Receptor Information
>7dyu Chain A (length=228) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STVPRLHRPSLQHFREQFLVPGRPVILKGVADHWPCMQKWSLEYIQEIAG
CRTVPVEVGWSQTLMTVNEFISKYIVNEPRDVGYLAQHQLFDQIPELKQD
ISIPDYCSLGDGEEEEITINAWFGPQGTISPLHQDPQQNFLVQVMGRKYI
RLYSPQESGALYPHDTHLLHNTSQVDVENPDLEKFPKFAKAPFLSCILSP
GEILFIPVKYWHYVRALDLSFSVSFWWS
Ligand information
Ligand IDHR9
InChIInChI=1S/C17H18N2O4/c20-16(21)13-10-14(17(22)23)19-11-15(13)18-9-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,10-11,18H,4-5,8-9H2,(H,20,21)(H,22,23)
InChIKeyQFSOXITYRWOMFC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC(=O)c1cc(C(O)=O)c(NCCCCc2ccccc2)cn1
OpenEye OEToolkits 2.0.7c1ccc(cc1)CCCCNc2cnc(cc2C(=O)O)C(=O)O
FormulaC17 H18 N2 O4
Name5-(4-phenylbutylamino)pyridine-2,4-dicarboxylic acid
ChEMBL
DrugBank
ZINC
PDB chain7dyu Chain A Residue 704 [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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PDB7dyu 5-Substituted Pyridine-2,4-dicarboxylate Derivatives Have Potential for Selective Inhibition of Human Jumonji-C Domain-Containing Protein 5.
Resolution1.72 Å
Binding residue
(original residue number in PDB)		E238 G240 Y272 W310 I317 S318 H321 N327 K336 H400 V402 W414
Binding residue
(residue number reindexed from 1)		E57 G59 Y84 W122 I129 S130 H133 N139 K148 H212 V214 W226
Annotation score1
Enzymatic activity
Enzyme Commision number 1.14.11.73: [protein]-arginine 3-hydroxylase.
3.4.-.-
External links
PDB RCSB:7dyu, PDBe:7dyu, PDBj:7dyu
PDBsum7dyu
PubMed37527664
UniProtQ8N371|KDM8_HUMAN Bifunctional peptidase and arginyl-hydroxylase JMJD5 (Gene Name=KDM8)

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