Structure of PDB 2r58 Chain A Binding Site BS01

Receptor Information
>2r58 Chain A (length=212) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AFDWDAYLEETGSEAAPAKCFKQAQNPPNNDFKIGMKLEALDPRNVTSTC
IATVVGVLGSRLRLRLDGSDSQNDFWRLVDSTEIHAIGHCEKNGGMLQPP
LGFCMNASSWPGYLCKILNNAMVAPEEIFQPEPPEPEENLFKVGQKLEAV
DKKNPQLICCATVDAIKDDQIHVTFDGWRGAFDYWCNYRSRDIFPAGWCA
RSCHPMQPPGHK
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 chain2r58 Chain A Residue 436 [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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PDB2r58 Structural and functional analyses of methyl-lysine binding by the malignant brain tumour repeat protein Sex comb on midleg.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		D324 N327 W351 F355
Binding residue
(residue number reindexed from 1)		D151 N154 W178 F182
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=2.00,Kd=10mM
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:2r58, PDBe:2r58, PDBj:2r58
PDBsum2r58
PubMed17932512
UniProtQ9VHA0|SCM_DROME Polycomb protein Scm (Gene Name=Scm)

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