Structure of PDB 6vqy Chain A Binding Site BS02

Receptor Information

>6vqy Chain A (length=275) Species: 9606 (Homo sapiens)

GSHSMRYFHTSVSRPGRGEPRFITVGYVDDTLFVRFDSDAASPREEPRAP
WIEQEGPEYWDRETQICKAKAQTDREDLRTLLRYYNQSEAGSHTLQNMYG
CDVGPDGRLLRGYHQDAYDGKDYIALNEDLSSWTAADTAAQITQRKWEAA
RVAEQLRAYLEGECVEWLRRYLENGKETLQRADPPKTHVTHHPISDHEAT
LRCWALGFYPAEITLTWQRDGEDQTQDTELVETRPAGDRTFQKWAAVVVP
SGEEQRYTCHVQHEGLPKPLTLRWE

Ligand information

• Ligand ID: ARG
• InChI: InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/m0/s1
• InChIKey: ODKSFYDXXFIFQN-BYPYZUCNSA-O
• SMILES:
  OpenEye OEToolkits 1.5.0: C(CC(C(=O)O)N)CNC(=[NH2+])N
  CACTVS 3.341: N[C@@H](CCCNC(N)=[NH2+])C(O)=O
  OpenEye OEToolkits 1.5.0: C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N
  CACTVS 3.341: N[CH](CCCNC(N)=[NH2+])C(O)=O
  ACDLabs 10.04: O=C(O)C(N)CCCN\C(=[NH2+])N
• Formula: C6 H15 N4 O2
• Name: ARGININE
• PDB chain: 6vqy Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6vqy Epitope length variants balance protective immune responses and viral escape in HIV-1 infection
• Resolution: 2.57 Å
• Binding residue (original residue number in PDB): D77 T80 Y84 D116 T143 K146 W147
• Binding residue (residue number reindexed from 1): D77 T80 Y84 D116 T143 K146 W147
• Annotation score: 4

External links

• PDB: RCSB:6vqy, PDBe:6vqy, PDBj:6vqy
• PDBsum: 6vqy
• UniProt: O78189