Structure of PDB 4k3h Chain B Binding Site BS01

Receptor Information
>4k3h Chain B (length=109) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QAVVTQEPSVTVSPGGTVILTCGSSTGAVTSGHYANWFQQKPGQAPRALI
FETDKKYSWTPGRFSGSLLGAKAALTISDAQPEDEAEYYCSLSDVDGYLF
GGGTQLTVL
Ligand information
Ligand ID1OM
InChIInChI=1S/C23H26N2O/c1-24(2)20-11-5-17(6-12-20)23(19-9-15-22(26)16-10-19)18-7-13-21(14-8-18)25(3)4/h5-16,23,26H,1-4H3
InChIKeyZTXGOUSDKAXJJB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CN(C)c1ccc(cc1)C(c2ccc(cc2)N(C)C)c3ccc(cc3)O
ACDLabs 12.01Oc1ccc(cc1)C(c2ccc(N(C)C)cc2)c3ccc(N(C)C)cc3
CACTVS 3.370CN(C)c1ccc(cc1)C(c2ccc(O)cc2)c3ccc(cc3)N(C)C
FormulaC23 H26 N2 O
Name4-{bis[4-(dimethylamino)phenyl]methyl}phenol
ChEMBL
DrugBank
ZINCZINC000004365605
PDB chain4k3h Chain A Residue 201 [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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PDB4k3h Malachite Green Mediates Homodimerization of Antibody VL Domains to Form a Fluorescent Ternary Complex with Singular Symmetric Interfaces.
Resolution2.45 Å
Binding residue
(original residue number in PDB)		N34 F36 Y55 S89 S91
Binding residue
(residue number reindexed from 1)		N36 F38 Y57 S91 S93
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=6.85,Kd=140nM
External links