Structure of PDB 7dyv Chain A Binding Site BS02

Receptor Information
>7dyv Chain A (length=229) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STVPRLHRPSLQHFREQFLVPGRPVILKGVADHWPCMQKWSLEYIQEIAG
CRTVPVEVGEWSQTLMTVNEFISKYIVNEPRDVGYLAQHQLFDQIPELKQ
DISIPDYCSLGDGEEEEITINAWFGPQGTISPLHQDPQQNFLVQVMGRKY
IRLYSPQESGALYPHDTHLLHNTSQVDVENPDLEKFPKFAKAPFLSCILS
PGEILFIPVKYWHYVRALDLSFSVSFWWS
Ligand information
Ligand IDHRF
InChIInChI=1S/C14H12N2O4/c17-13(18)10-6-11(14(19)20)16-8-12(10)15-7-9-4-2-1-3-5-9/h1-6,8,15H,7H2,(H,17,18)(H,19,20)
InChIKeyFQCUGQSKLCNUQT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)CNc2cnc(cc2C(=O)O)C(=O)O
CACTVS 3.385OC(=O)c1cc(C(O)=O)c(NCc2ccccc2)cn1
FormulaC14 H12 N2 O4
Name5-(benzylamino)pyridine-2,4-dicarboxylic acid
ChEMBL
DrugBank
ZINC
PDB chain7dyv 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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PDB7dyv 5-Substituted Pyridine-2,4-dicarboxylate Derivatives Have Potential for Selective Inhibition of Human Jumonji-C Domain-Containing Protein 5.
Resolution1.92 Å
Binding residue
(original residue number in PDB)		W248 Y272 W310 I317 S318 H321 N327 K336
Binding residue
(residue number reindexed from 1)		W61 Y85 W123 I130 S131 H134 N140 K149
Annotation score1
Enzymatic activity
Enzyme Commision number 1.14.11.73: [protein]-arginine 3-hydroxylase.
3.4.-.-
External links
PDB RCSB:7dyv, PDBe:7dyv, PDBj:7dyv
PDBsum7dyv
PubMed37527664
UniProtQ8N371|KDM8_HUMAN Bifunctional peptidase and arginyl-hydroxylase JMJD5 (Gene Name=KDM8)

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