Structure of PDB 3n26 Chain A Binding Site BS01

Receptor Information
>3n26 Chain A (length=231) Species: 83558 (Chlamydia pneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DRNRIWIVGTNATYPPFEYVDAQGEVVGFDIDLAKAISEKLGKQLEVREF
AFDALILNLKKHRIDAILAGMSITPSRQKEIALLPYYGDEVQELMVVSKR
SLETPVLPLTQHSSVAVQTGTFQEHYLLSQPGICVRSFDSTLEVIMEVRY
GKSPVAVLEPSVGRVVLKDFPNLVATRLELPPECWVLGCGLGVAKDRPEE
IQTIQQAITDLKSEGVIQSLTKKWQLSEVAY
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 chain3n26 Chain A Residue 500 [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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PDB3n26 Exploiting antigenic diversity for vaccine design: the Chlamydia ArtJ paradigm.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		N38 Y41 F79 A96 G97 M98 S99 R104 T148 F149 E186
Binding residue
(residue number reindexed from 1)		N11 Y14 F52 A69 G70 M71 S72 R77 T121 F122 E159
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:3n26, PDBe:3n26, PDBj:3n26
PDBsum3n26
PubMed20592031
UniProtQ9Z869|ARTJ_CHLPN Probable ABC transporter arginine-binding protein ArtJ (Gene Name=artJ)

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