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

InChI=1S/Fe/q+2

CWYNVVGOOAEACU-UHFFFAOYSA-N

SMILES

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

Formula

Name

FE (II) ION

PDB chain

3kva Chain A Residue 490 [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	3kva Enzymatic and structural insights for substrate specificity of a family of jumonji histone lysine demethylases.
Resolution	2.79 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 score	1

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
PDBsum	3kva
PubMed	20023638
UniProt	Q6ZMT4\|KDM7A_HUMAN Lysine-specific demethylase 7A (Gene Name=KDM7A)

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