Structure of PDB 3kva Chain A Binding Site BS02

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 490 [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)
S249 W250 V251 F369 L370
Binding residue
(residue number reindexed from 1)
S136 W137 V138 F256 L257
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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