Structure of PDB 2rhu Chain A Binding Site BS01

Receptor Information
>2rhu Chain A (length=325) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SWSWESYLEEQKAITAPVSLFQDSQAVTHNKNGFKLGMKLEGIDPQHPSM
YFILTVAEVCGYRLRLHFDGYSECHDFWVNANSPDIHPAGWFEKTGHKLQ
PPKGYKEEEFSWSQYLRSTRAQAAPKHLFVSQSHSPPPLGFQVGMKLEAV
DRMNPSLVCVASVTDVVDSRFLVHFDNWDDTYDYWCDPSSPYIHPVGWCQ
KQGKPLTPPQDYPDPDNFCWEKYLEETGASAVPTWAFKVRPPHSFLVNMK
LEAVDRRNPALIRVASVEDVEDHRIKIHFDGWSHGYDFWIDADHPDIHPA
GWCSKTGHPLQPPLGGGGSAPSTGG
Ligand information
Ligand IDMLY
InChIInChI=1S/C8H18N2O2/c1-10(2)6-4-3-5-7(9)8(11)12/h7H,3-6,9H2,1-2H3,(H,11,12)/t7-/m0/s1
InChIKeyXXEWFEBMSGLYBY-ZETCQYMHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CN(C)CCCC[C@@H](C(=O)O)N
OpenEye OEToolkits 1.5.0CN(C)CCCCC(C(=O)O)N
CACTVS 3.341CN(C)CCCC[CH](N)C(O)=O
CACTVS 3.341CN(C)CCCC[C@H](N)C(O)=O
ACDLabs 10.04O=C(O)C(N)CCCCN(C)C
FormulaC8 H18 N2 O2
NameN-DIMETHYL-LYSINE
ChEMBL
DrugBankDB03362
ZINCZINC000002579066
PDB chain2rhu Chain A Residue 530 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2rhu Structural Basis for Lower Lysine Methylation State-Specific Readout by MBT Repeats of L3MBTL1 and an Engineered PHD Finger.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		D355 F379 W382 Y386
Binding residue
(residue number reindexed from 1)		D151 F175 W178 Y182
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0006355 regulation of DNA-templated transcription
Cellular Component
GO:0005634 nucleus

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Biological Process
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Cellular Component
External links
PDB RCSB:2rhu, PDBe:2rhu, PDBj:2rhu
PDBsum2rhu
PubMed18042461
UniProtQ9Y468|LMBL1_HUMAN Lethal(3)malignant brain tumor-like protein 1 (Gene Name=L3MBTL1)

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