Structure of PDB 3u88 Chain C Binding Site BS01

Receptor Information
>3u88 Chain C (length=82) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDSRLQRIHAEIKNSLKIDNLDVNRCIEALDELASLQVTMQQAQKHTEMI
TTLKKIRRFKVSQVIMEKSTMLYNKFKNMFLV
Ligand information
Ligand IDGGB
InChIInChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-12-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H4,7,8,9)/t3-/m0/s1
InChIKeyFSBIGDSBMBYOPN-VKHMYHEASA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)CCONC(=[N@H])N
OpenEye OEToolkits 1.5.0[H]N=C(N)NOCCC(C(=O)O)N
CACTVS 3.341N[CH](CCONC(N)=N)C(O)=O
CACTVS 3.341N[C@@H](CCONC(N)=N)C(O)=O
OpenEye OEToolkits 1.5.0[H]/N=C(\N)/NOCC[C@@H](C(=O)O)N
FormulaC5 H12 N4 O3
NameL-CANAVANINE;
L-2-AMINO-4-(GUANIDINOOXY)BUTYRIC ACID
ChEMBLCHEMBL443732
DrugBankDB01833
ZINCZINC000003869452
PDB chain3u88 Chain C Residue 109 [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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PDB3u88 The same pocket in menin binds both MLL and JUND but has opposite effects on transcription.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		L363 I365
Binding residue
(residue number reindexed from 1)		L16 I18
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:3u88, PDBe:3u88, PDBj:3u88
PDBsum3u88
PubMed22327296
UniProtO75475|PSIP1_HUMAN PC4 and SFRS1-interacting protein (Gene Name=PSIP1)

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