Structure of PDB 5fwj Chain B Binding Site BS02

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 ID

InChI

InChI=1S/Zn/q+2

InChIKey

PTFCDOFLOPIGGS-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Zn++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Zn+2]

Formula

Name

ZINC ION

PDB chain

5fwj Chain B Residue 1771 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	5fwj Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Resolution	2.1 Å
Binding residue (original residue number in PDB)	C721 C724 C738 C740
Binding residue (residue number reindexed from 1)	C381 C384 C398 C400
Annotation score	1

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
PDBsum	5fwj
PubMed	27214403
UniProt	P41229\|KDM5C_HUMAN Lysine-specific demethylase 5C (Gene Name=KDM5C)

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