Structure of PDB 5fz0 Chain A Binding Site BS04

Receptor Information
>5fz0 Chain A (length=453) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMFLPPPECPVFEPSWEEFADPFAFIHKIRPIAEQTGICKVRPPPDWQPP
FACDVDKLHFTPRIQRLNELEAQTRVRDYTLRTFGEMADAFKSDYFNMPV
HMVPTELVEKEFWRLVSTIEEDVTVEYGADIASKEFGSGFPVRDIKLSPE
EEEYLDSGWNLNNMPVMEQSVLAHITADICGMKLPWLYVGMCFSSFCWHI
EDHWSYSINYLHWGEPKTWYGVPGYAAEQLENVMKKLAPELFVSQPDLLH
QLVTIMNPNTLMTHEVPVYRTNQCAGEFVITFPRAYHSGFNQGFNFAEAV
NFCTVDWLPLGRQCVEHYRLLHRYCVFSHDEMICKMASKADVLDVVVAST
VQKDMAIMIEDEKALRETVRKLGVIDSERMDFELLPDDERQCVKCKTTCF
MSAISCSCKPGLLVCLHHVKELCSCPPYKYKLRYRYTLDDLYPMMNALKL
RAE
Ligand information
Ligand IDDJ6
InChIInChI=1S/C10H6Cl2N2OS/c11-8-4-7(9(12)16-8)10(15)14-6-2-1-3-13-5-6/h1-5H,(H,14,15)
InChIKeyXUXVQIKOGRNZPD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Clc1sc(Cl)c(c1)C(=O)Nc2cccnc2
ACDLabs 12.01c2cc(NC(=O)c1cc(sc1Cl)Cl)cnc2
OpenEye OEToolkits 1.7.6c1cc(cnc1)NC(=O)c2cc(sc2Cl)Cl
FormulaC10 H6 Cl2 N2 O S
Name2,5-dichloro-N-(pyridin-3-yl)thiophene-3-carboxamide
ChEMBL
DrugBank
ZINCZINC000003120056
PDB chain5fz0 Chain A Residue 1767 [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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PDB5fz0 Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with N11213A
Resolution2.42 Å
Binding residue
(original residue number in PDB)		R86 R98 V99 Y425 Y488 F496 H499
Binding residue
(residue number reindexed from 1)		R63 R75 V76 Y127 Y188 F196 H199
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) G481 Y488 H499 E501 H587 A599
Catalytic site (residue number reindexed from 1) G181 Y188 H199 E201 H287 A299
Enzyme Commision number 1.14.11.67: [histone H3]-trimethyl-L-lysine(4) demethylase.
External links
PDB RCSB:5fz0, PDBe:5fz0, PDBj:5fz0
PDBsum5fz0
PubMed
UniProtQ9UGL1|KDM5B_HUMAN Lysine-specific demethylase 5B (Gene Name=KDM5B)

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