Structure of PDB 8bso Chain D Binding Site BS01

Receptor Information

>8bso Chain D (length=211) Species: 10090 (Mus musculus)

DIQMTQSPKSMSMSVGERVTLSCKASENVHTYVSWYQQKPEQSPKLLIYG
ASNRYTGVPDRFTGSGSATDFTLTISSVQAEDLADYHCGQTYTYPFTFGS
GTKLELKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKV
DNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQG
LSSPVTKSFNR

Ligand information

• Ligand ID: SL9
• InChI: InChI=1S/C10H20N4O2S/c1-7(15)14-8(10(12)16)4-2-3-5-13-9(11)6-17/h8,17H,2-6H2,1H3,(H2,11,13)(H2,12,16)(H,14,15)/t8-/m0/s1
• InChIKey: VZQPDVWZAWZPHB-QMMMGPOBSA-N
• SMILES:
  OpenEye OEToolkits 2.0.7: CC(=O)NC(CCCCNC(=N)CS)C(=O)N
  CACTVS 3.385: CC(=O)N[CH](CCCCNC(=N)CS)C(N)=O
  OpenEye OEToolkits 2.0.7: [H]/N=C(/CS)\NCCCC[C@@H](C(=O)N)NC(=O)C
  CACTVS 3.385: CC(=O)N[C@@H](CCCCNC(=N)CS)C(N)=O
• Formula: C10 H20 N4 O2 S
• Name: (2~{S})-2-acetamido-6-(2-sulfanylethanimidoylamino)hexanamide
• PDB chain: 8bso Chain D Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8bso crystal structure of antibody Fab with SiaLac-amidine-Lys
• Resolution: 1.92 Å
• Binding residue (original residue number in PDB): Y37 T96 Y97
• Binding residue (residue number reindexed from 1): Y32 T91 Y92
• Annotation score: 1

External links

• PDB: RCSB:8bso, PDBe:8bso, PDBj:8bso
• PDBsum: 8bso