Structure of PDB 5fwj Chain B Binding Site BS04

Receptor Information
>5fwj Chain B (length=429) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMFLPPPECPVFEPSWAEFRDPLGYIAKIRPIAEKSGICKIRPPADWQPP
FAVEVDNFRFTPRIQRLNELTREYTLQSFGEMADSFKADYFNMPVHMVPT
ELVEKEFWRLVNSIEEDVTVEYGADIHSKEFGSGFPVSTPEEEEYATSGW
NLNVMPVLEQSVLCHINADISGMKVPWLYVGMVFSAFCWHIEDHWSYSIN
YLHWGEPKTWYGVPSLAAEHLEEVMKKLTLMNPNTLMSHGVPVVRTNQCA
GEFVITFPRAYHSGFNQGYNFAEAVNFCTADWLPAGRQCIEHYRRLRRYC
VFSHEELICKMAACPEKLDLNLAAAVHKEMFIMVQEERRLRKALLEKGIT
EAEREAFELLPDDERQCIKCKTTCFLSALACYDCPDGLVCLSHINDLCKC
SSSRQYLRYRYTLDELPAMLHKLKVRAES
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain5fwj Chain B Residue 1773 [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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PDB5fwj Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		R634 R637 H733
Binding residue
(residue number reindexed from 1)		R294 R297 H393
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) G496 Y503 H514 E516 H602 A614
Catalytic site (residue number reindexed from 1) G172 Y179 H190 E192 H262 A274
Enzyme Commision number 1.14.11.67: [histone H3]-trimethyl-L-lysine(4) demethylase.
External links
PDB RCSB:5fwj, PDBe:5fwj, PDBj:5fwj
PDBsum5fwj
PubMed27214403
UniProtP41229|KDM5C_HUMAN Lysine-specific demethylase 5C (Gene Name=KDM5C)

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