Structure of PDB 8eom Chain B Binding Site BS01

Receptor Information
>8eom Chain B (length=120) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SFVGLRVVAKWSSNGYFYSGKITRDVGAGKYKLLFDDGYECDVLGKDILL
CDPIPLDTEVTALSEDEYFSAGVVKGHRKESGELYYSIEKEGQRKWYKRM
AVILSLEQGNRLREQYGLGP
Ligand information
Ligand IDWNQ
InChIInChI=1S/C12H17N3O3S/c1-14-6-8-15(9-7-14)19(17,18)11-4-2-10(3-5-11)12(13)16/h2-5H,6-9H2,1H3,(H2,13,16)
InChIKeyDGYBGNBRDCUNEP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(N)=O
CACTVS 3.385CN1CCN(CC1)[S](=O)(=O)c2ccc(cc2)C(N)=O
OpenEye OEToolkits 2.0.7CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)C(=O)N
FormulaC12 H17 N3 O3 S
Name4-(4-methylpiperazine-1-sulfonyl)benzamide
ChEMBL
DrugBank
ZINCZINC000035360210
PDB chain8eom Chain B Residue 1701 [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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PDB8eom TUDOR DOMAIN OF TUMOR SUPPRESSOR P53BP1 WITH MFP-5973
Resolution1.7 Å
Binding residue
(original residue number in PDB)		W1495 Y1502 F1519 D1521 Y1523
Binding residue
(residue number reindexed from 1)		W11 Y18 F35 D37 Y39
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:8eom, PDBe:8eom, PDBj:8eom
PDBsum8eom
PubMed
UniProtQ12888|TP53B_HUMAN TP53-binding protein 1 (Gene Name=TP53BP1)

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