Structure of PDB 3f70 Chain A Binding Site BS01

Receptor Information
>3f70 Chain A (length=392) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QDALVLGFDWGKFLKDHSYKAAPVSCFKHVPLYDQWEDVMKGMKVEVLNS
DAVLRVYWIASVIQTAGYRVLLRYEGFENDASHDFWCNLGTVDVHPIGWC
AINSKILVPPRTIHAKFTDWKGYLMKRLVGSRTLPVDFHIKMVESMKYPF
RQGMRLEVVDKSQVSRTRMAVVDTVIGGRLRLLYEDDDFWCHMWSPLIHP
VGWSRRVGHRAVYTEGGWFEEGMKLEAIDPLNLGNICVATVCKVLLDGYL
MICVDDWFCYHASSHAIFPATFCQKNDIELTPPKGYEAQTFNWENYLEKT
KSKAAPSRLFNMDCPNHGFKVGMKLEAVDLMEPRLICVATVKRVVHRLLS
IHFDGWDSEYDQWVDCESPDIYPVGWCELTGYQLQPPVAAEP
Ligand information
Ligand IDMLZ
InChIInChI=1S/C7H16N2O2/c1-9-5-3-2-4-6(8)7(10)11/h6,9H,2-5,8H2,1H3,(H,10,11)/t6-/m0/s1
InChIKeyPQNASZJZHFPQLE-LURJTMIESA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CNCCCCC(C(=O)O)N
OpenEye OEToolkits 1.5.0CNCCCC[C@@H](C(=O)O)N
CACTVS 3.341CNCCCC[CH](N)C(O)=O
CACTVS 3.341CNCCCC[C@H](N)C(O)=O
ACDLabs 10.04O=C(O)C(N)CCCCNC
FormulaC7 H16 N2 O2
NameN-METHYL-LYSINE
ChEMBL
DrugBankDB01714
ZINCZINC000001529511
PDB chain3f70 Chain A Residue 20 [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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PDB3f70 Methylation-state-specific recognition of histones by the MBT repeat protein L3MBTL2.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		D546 F570 W573 E608
Binding residue
(residue number reindexed from 1)		D329 F353 W356 E391
Annotation score1
Binding affinityMOAD: Kd=14uM
PDBbind-CN: -logKd/Ki=4.85,Kd=14uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0006355 regulation of DNA-templated transcription
Cellular Component
GO:0005634 nucleus

View graph for
Biological Process
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Cellular Component
External links
PDB RCSB:3f70, PDBe:3f70, PDBj:3f70
PDBsum3f70
PubMed19233876
UniProtQ969R5|LMBL2_HUMAN Lethal(3)malignant brain tumor-like protein 2 (Gene Name=L3MBTL2)

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