Structure of PDB 4e4h Chain A Binding Site BS01

Receptor Information
>4e4h Chain A (length=455) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SSPLRRVLAELNRIPSSRRRAARLFEWLIAPMPPDHFYRRLWEREAVLVR
RQDHTYYQGLFSTADLDSMLRNEEVQFGQHLDAARYRRETLNPPGRALPA
AAWSLYQAGCSLRLLCPQAFSTTVWQFLAVLQEQFGSMAGSNVYLTPPNS
QGFAPHYDDIEAFVLQLEGRKLWRVYRPRAPTEELALTSSPNFSQDDLGE
PVLQTVLEPGDLLYFPRGFIHQAECQDGVHSLHLTLSTYQRNTWGDFLEA
ILPLAVQAAMEENVEFRRGLPRDFMDYMGAQHSDSKDPRRTAFMEKVRVL
VARLGHFAPVDAVADQRAKDFIHDSLPPVLTDRERALSVYGLPIRWEAGE
PVNVGAQLTTETEVHMLQDGIARLVGEGGHLFLYYTVENSRVYHLEEPKC
LEIYPQQADAMELLLGSYPEFVRVGDLPCDSVEDQLSLATTLYDKGLLLT
KMPLA
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain4e4h Chain A Residue 1001 [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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PDB4e4h tructural Basis for Tetramerization-dependent Gene Repression by Histone Demethylase NO66
Resolution2.28 Å
Binding residue
(original residue number in PDB)		H340 D342 H405
Binding residue
(residue number reindexed from 1)		H156 D158 H221
Annotation score1
Enzymatic activity
Enzyme Commision number 1.14.11.27: [histone H3]-dimethyl-L-lysine(36) demethylase.
1.14.11.79: protein-L-histidine (3S)-3-hydroxylase.
External links
PDB RCSB:4e4h, PDBe:4e4h, PDBj:4e4h
PDBsum4e4h
PubMed
UniProtQ9H6W3|RIOX1_HUMAN Ribosomal oxygenase 1 (Gene Name=RIOX1)

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