Structure of PDB 5j6h Chain A Binding Site BS02

Receptor Information

>5j6h Chain A (length=275) Species: 10090 (Mus musculus)

GSHSMRYFETSVSRPGLGEPRFIIVGYVDDTQFVRFDSDAETPRMEPRAP
WMEQEGPEYWERETQRAKGNEQSFHVSLRTLLGYYNQSESGSHTIQWMYG
CKVGSDGRFLRGYLQYAYDGRDYIALNEDLKTWTAADVAAIITRRKWEQA
GAAEYYRAYLEAECVEWLLRYLELGKETLLRTDPPKTHVTHHPGEGDVTL
RCWALGFYPADITLTWQLNGEELTQDMELVETRPAGDGTFQKWASVVVPL
GKEQNYTCHVYHEGLPEPLTLRWEP

Ligand information

• Ligand ID: NCA
• InChI: InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
• InChIKey: DFPAKSUCGFBDDF-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: c1cc(cnc1)C(=O)N
  CACTVS 3.341: NC(=O)c1cccnc1
  ACDLabs 10.04: O=C(N)c1cccnc1
• Formula: C6 H6 N2 O
• Name: NICOTINAMIDE
• ChEMBL: CHEMBL1140
• DrugBank: DB02701
• ZINC: ZINC000000005878
• PDB chain: 5j6h Chain A Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5j6h Recognition of the Major Histocompatibility Complex (MHC) Class Ib Molecule H2-Q10 by the Natural Killer Cell Receptor Ly49C.
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): P47 R48
• Binding residue (residue number reindexed from 1): P47 R48
• Annotation score: 4

Gene Ontology

Biological Process

• GO:0002474 antigen processing and presentation of peptide antigen via MHC class I

Cellular Component

• GO:0005615 extracellular space
• GO:0016020 membrane
• GO:0030670 phagocytic vesicle membrane
• GO:0042612 MHC class I protein complex
• GO:0098553 lumenal side of endoplasmic reticulum membrane

External links

• PDB: RCSB:5j6h, PDBe:5j6h, PDBj:5j6h
• PDBsum: 5j6h
• PubMed: 27385590
• UniProt: P01898|HA10_MOUSE H-2 class I histocompatibility antigen, Q10 alpha chain (Gene Name=H2-Q10)