Structure of PDB 5fz4 Chain A Binding Site BS03

Receptor Information
>5fz4 Chain A (length=452) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMFLPPPECPVFEPSWEEFADPFAFIHKIRPIAEQTGICKVRPPPDWQPP
FACDVDKLHFTPRIQRLNELEAQTRVKDYTLRTFGEMADAFKSDYFNMPV
HMVPTELVEKEFWRLVSTIEEDVTVEYGADIASKEFGSGFPVRDIKLSPE
EEEYLDSGWNLNNMPVMEQSVLAHITAICGMKLPWLYVGMCFSSFCWHIE
DHWSYSINYLHWGEPKTWYGVPGYAAEQLENVMKKLAPELFVSQPDLLHQ
LVTIMNPNTLMTHEVPVYRTNQCAGEFVITFPRAYHSGFNQGFNFAEAVN
FCTVDWLPLGRQCVEHYRLLHRYCVFSHDEMICKMASKADVLDVVVASTV
QKDMAIMIEDEKALRETVRKLGVIDSERMDFELLPDDERQCVKCKTTCFM
SAISCSCKPGLLVCLHHVKELCSCPPYKYKLRYRYTLDDLYPMMNALKLR
AE
Ligand information
Ligand IDP6B
InChIInChI=1S/C13H15N3O2/c17-11-6-7-16(8-11)9-12-14-13(15-18-12)10-4-2-1-3-5-10/h1-5,11,17H,6-9H2/t11-/m0/s1
InChIKeyFQHRNVUXCKTULP-NSHDSACASA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc(cc1)c2nc(on2)CN3CCC(C3)O
CACTVS 3.385O[CH]1CCN(C1)Cc2onc(n2)c3ccccc3
CACTVS 3.385O[C@H]1CCN(C1)Cc2onc(n2)c3ccccc3
ACDLabs 12.01C3CN(Cc1onc(n1)c2ccccc2)CC3O
OpenEye OEToolkits 1.7.6c1ccc(cc1)c2nc(on2)CN3CC[C@@H](C3)O
FormulaC13 H15 N3 O2
Name(3S)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol
ChEMBL
DrugBank
ZINCZINC000061708856
PDB chain5fz4 Chain A Residue 1756 [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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PDB5fz4 Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with N10057A
Resolution2.07 Å
Binding residue
(original residue number in PDB)		E662 K663 R666 R670 L738 L741
Binding residue
(residue number reindexed from 1)		E361 K362 R365 R369 L437 L440
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) G481 Y488 H499 E501 H587 A599
Catalytic site (residue number reindexed from 1) G180 Y187 H198 E200 H286 A298
Enzyme Commision number 1.14.11.67: [histone H3]-trimethyl-L-lysine(4) demethylase.
External links
PDB RCSB:5fz4, PDBe:5fz4, PDBj:5fz4
PDBsum5fz4
PubMed
UniProtQ9UGL1|KDM5B_HUMAN Lysine-specific demethylase 5B (Gene Name=KDM5B)

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