Structure of PDB 5rb2 Chain B Binding Site BS01

Receptor Information
>5rb2 Chain B (length=344) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTSHSWLCDGRLLCLHDPSNKNNWKIFRECWKQGQPVLVSGVHKKLKSEL
WKPEAFSQEFGDQDVDLVNCRNCAIISDVKVRDFWDGFEIICKRLRSEDG
QPMVLKLKDWPPGEDFRDMMPTRFEDLMENLPLPEYTKRDGRLNLASRLP
SYFVRPDLGPKMYNAYGLITAEDRRVGTTNLHLDVSDAVNVMVYVGIPIA
HDEEVLKTIDEGDADEVTKERIHDHKEKPGALWHIYAAKDAEKIRELLRK
VGEEQGQENPPDHDPIHDQSWYLDQTLRKRLYEEYGVQGWAIVQFLGDAV
FIPAGAPHQVHNLYSCIKVAEDFVSPEHVKHCFRLTQEFRHLSN
Ligand information
Ligand IDS9P
InChIInChI=1S/C8H7NO2/c1-5-9-7-3-2-6(10)4-8(7)11-5/h2-4,10H,1H3
InChIKeyRZKJWYDRDBVDJJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Cc1oc2cc(O)ccc2n1
OpenEye OEToolkits 2.0.6Cc1nc2ccc(cc2o1)O
FormulaC8 H7 N O2
Name2-methyl-1,3-benzoxazol-6-ol
ChEMBL
DrugBank
ZINCZINC000000039661
PDB chain5rb2 Chain B Residue 1801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5rb2 PanDDA analysis group deposition of Human JMJD1B screened against the DSPL Fragment Library
Resolution1.52 Å
Binding residue
(original residue number in PDB)		H1606 P1610
Binding residue
(residue number reindexed from 1)		H225 P229
Annotation score1
Enzymatic activity
Enzyme Commision number 1.14.11.65: [histone H3]-dimethyl-L-lysine(9) demethylase.
Gene Ontology
Molecular Function
GO:0032454 histone H3K9 demethylase activity

View graph for
Molecular Function
External links
PDB RCSB:5rb2, PDBe:5rb2, PDBj:5rb2
PDBsum5rb2
PubMed
UniProtQ7LBC6|KDM3B_HUMAN Lysine-specific demethylase 3B (Gene Name=KDM3B)

[Back to BioLiP]