Structure of PDB 1hsb Chain A Binding Site BS02

Receptor Information
>1hsb Chain A (length=270) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSHSMRYFYTSVSRPGRGEPRFIAVGYVDDTQFVRFDSDAASQRMEPRAP
WIEQEGPEYWDRNTRNVKAQSQTDRVDLGTLRGYYNQSEAGSHTIQMMYG
CDVGSDGRFLRGYRQDAYDGKDYIALKEDLRSWTAADMAAQTTKHKWEAA
HVAEQWRAYLEGTCVEWLRRYLENGKETLQRTDAPKTHMTHHAVSDHEAT
LRCWALSFYPAEITLTWQRDGEDQTQDTELVETRPAGDGTFQKWVAVVVP
SGQEQRYTCHVQHEGLPKPL
Ligand information
Ligand IDARG
InChIInChI=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
InChIKeyODKSFYDXXFIFQN-BYPYZUCNSA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CC(C(=O)O)N)CNC(=[NH2+])N
CACTVS 3.341N[C@@H](CCCNC(N)=[NH2+])C(O)=O
OpenEye OEToolkits 1.5.0C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N
CACTVS 3.341N[CH](CCCNC(N)=[NH2+])C(O)=O
ACDLabs 10.04O=C(O)C(N)CCCN\C(=[NH2+])N
FormulaC6 H15 N4 O2
NameARGININE
ChEMBL
DrugBank
ZINC
PDB chain1hsb Chain A Residue 1002 [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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PDB1hsb Different length peptides bind to HLA-Aw68 similarly at their ends but bulge out in the middle.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		D77 Y84 I95 D116 T143 K146 W147
Binding residue
(residue number reindexed from 1)		D77 Y84 I95 D116 T143 K146 W147
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:1hsb, PDBe:1hsb, PDBj:1hsb
PDBsum1hsb
PubMed1448153
UniProtP04439|HLAA_HUMAN HLA class I histocompatibility antigen, A alpha chain (Gene Name=HLA-A)

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