Structure of PDB 3qax Chain B Binding Site BS01

Receptor Information
>3qax Chain B (length=235) Species: 83558 (Chlamydia pneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DRNRIWIVGTNATYPPFEYVDAQGEVVGFDIDLAKAISEKLGKQLEVREF
AFDALILNLKKHRIDAILAGMSITPSRQKEIALLPYYGDEVQELMVVSKR
SLETPVLPLTQYSSVAVQTGTYQEHYLLSQPGICVRSFDSTLEVIMEVRY
GKSPVAVLEPSVGRVVLKDFPNLVATRLELPPECWVLGCGLGVAKDRPEE
IQTIQQAITDLKSEGVIQSLTKKWQLSEVAYEAAQ
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 chain3qax Chain B Residue 600 [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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PDB3qax Crystal structure of the cpb0502
Resolution2.0 Å
Binding residue
(original residue number in PDB)		N17 Y20 F58 A75 G76 S78 R83 T127 Y128 E165
Binding residue
(residue number reindexed from 1)		N11 Y14 F52 A69 G70 S72 R77 T121 Y122 E159
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:3qax, PDBe:3qax, PDBj:3qax
PDBsum3qax
PubMed
UniProtQ9Z869|ARTJ_CHLPN Probable ABC transporter arginine-binding protein ArtJ (Gene Name=artJ)

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