Structure of PDB 5acm Chain A Binding Site BS01

Receptor Information

>5acm Chain A (length=109) Species: 9606 (Homo sapiens)

SALTQPPSASGSLGQSVTISCTGTSSDVGGYNYVSWYQQHAGKAPKVIIY
EVNKRPSGVPDRFSGSKSGNTASLTVSGLQAEDEADYYCSSYEGSDNFVF
GTGTKVTVL

Ligand information

• Ligand ID: MBT
• InChI: InChI=1S/C16H18N3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13/h5-10H,1-4H3/q+1
• InChIKey: RBTBFTRPCNLSDE-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: CN(C)c1ccc2c(c1)[s+]c3cc(ccc3n2)N(C)C
  ACDLabs 10.04: [s+]1c3c(nc2c1cc(cc2)N(C)C)ccc(N(C)C)c3
  CACTVS 3.341: CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C
• Formula: C16 H18 N3 S
• Name: 3,7-BIS(DIMETHYLAMINO)PHENOTHIAZIN-5-IUM;
  METHYLENE BLUE
• ChEMBL: CHEMBL191083
• DrugBank: DB08167
• ZINC: ZINC000012414057
• PDB chain: 5acm Chain A Residue 1111

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5acm Inhibition by small-molecule ligands of formation of amyloid fibrils of an immunoglobulin light chain variable domain.
• Resolution: 1.05 Å
• Binding residue (original residue number in PDB): Y34 Y93 D97 F99
• Binding residue (residue number reindexed from 1): Y33 Y92 D96 F98
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0003823 antigen binding

Biological Process

• GO:0002250 adaptive immune response
• GO:0006955 immune response

Cellular Component

• GO:0005576 extracellular region
• GO:0005615 extracellular space
• GO:0005886 plasma membrane
• GO:0019814 immunoglobulin complex

External links

• PDB: RCSB:5acm, PDBe:5acm, PDBj:5acm
• PDBsum: 5acm
• PubMed: 26576950
• UniProt: P01709|LV208_HUMAN Immunoglobulin lambda variable 2-8 (Gene Name=IGLV2-8)