Structure of PDB 2r5a Chain A Binding Site BS01

Receptor Information
>2r5a 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 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 chain2r5a 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

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB2r5a Structural and functional analyses of methyl-lysine binding by the malignant brain tumour repeat protein Sex comb on midleg.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		D324 C332 F348 W351
Binding residue
(residue number reindexed from 1)		D151 C159 F175 W178
Annotation score1
Binding affinityMOAD: Kd=2500uM
PDBbind-CN: -logKd/Ki=2.60,Kd=2.5mM
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
View graph for
Cellular Component
External links
PDB RCSB:2r5a, PDBe:2r5a, PDBj:2r5a
PDBsum2r5a
PubMed17932512
UniProtQ9VHA0|SCM_DROME Polycomb protein Scm (Gene Name=Scm)

[Back to BioLiP]