Structure of PDB 3kva Chain A Binding Site BS01

Receptor Information
>3kva Chain A (length=366) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PVQAGTRTFIKELRSRVFPSADEIIIKMHGSQLTQRYLEKHGFDVPIMVP
KLDDLGLRLPSPTFSVMDVERYVGGDKVIDVIDVARQADSKMTLHNYVKY
FMNPNRPKVLNVISLEFSDTKMSELVEVPDIAKKLSWVENYWPDDSVFPK
PFVQKYCLMGVQDSYTDFHIDFGGTSVWYHVLWGEKIFYLIKPTDENLAR
YESWSSSVTQSEVFFGDKVDKCYKCVVKQGHTLFVPTGWIHAVLTSQDCM
AFGGNFLHNLNIGMQLRCYEMEKRLKTPDLFKFPFFEAICWFVAKNLLET
LKELREDGFQPQTYLVQGVKALHTALKLWMKKELVSEHAFEIPDNVRPGH
LIKELSKVIRAIEEEN
Ligand information
Ligand IDFE2
InChIInChI=1S/Fe/q+2
InChIKeyCWYNVVGOOAEACU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Fe+2]
CACTVS 3.341[Fe++]
FormulaFe
NameFE (II) ION
ChEMBL
DrugBankDB14510
ZINC
PDB chain3kva Chain A Residue 489 [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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PDB3kva Enzymatic and structural insights for substrate specificity of a family of jumonji histone lysine demethylases.
Resolution2.79 Å
Binding residue
(original residue number in PDB)
H282 D284 H354
Binding residue
(residue number reindexed from 1)
H169 D171 H241
Annotation score1
Enzymatic activity
Enzyme Commision number 1.14.11.65: [histone H3]-dimethyl-L-lysine(9) demethylase.
External links
PDB RCSB:3kva, PDBe:3kva, PDBj:3kva
PDBsum3kva
PubMed20023638
UniProtQ6ZMT4|KDM7A_HUMAN Lysine-specific demethylase 7A (Gene Name=KDM7A)

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