Structure of PDB 1laf Chain E Binding Site BS01

Receptor Information
>1laf Chain E (length=238) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ALPQTVRIGTDTTYAPFSSKDAKGEFIGFDIDLGNEMCKRMQVKCTWVAS
DFDALIPSLKAKKIDAIISSLSITDKRQQEIAFSDKLYAADSRLIAAKGS
PIQPTLESLKGKHVGVLQGSTQEAYANDNWRTKGVDVVAYANQDLIYSDL
TAGRLDAALQDEVAASEGFLKQPAGKEYAFAGPSVKDKKYFGDGTGVGLR
KDDTELKAAFDKALTELRQDGTYDKMAKKYFDFNVYGD
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 chain1laf Chain E Residue 240 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1laf Structural basis for multiple ligand specificity of the periplasmic lysine-, arginine-, ornithine-binding protein.
Resolution2.06 Å
Binding residue
(original residue number in PDB)		D11 Y14 F52 S69 S70 S72 R77 L117 S120 T121 Q122 D161
Binding residue
(residue number reindexed from 1)		D11 Y14 F52 S69 S70 S72 R77 L117 S120 T121 Q122 D161
Annotation score4
Binding affinityMOAD: Kd=14nM
PDBbind-CN: -logKd/Ki=7.85,Kd=14nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0006865 amino acid transport
GO:0071705 nitrogen compound transport
Cellular Component
GO:0030288 outer membrane-bounded periplasmic space
GO:0042597 periplasmic space

View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1laf, PDBe:1laf, PDBj:1laf
PDBsum1laf
PubMed7929349
UniProtP02911|ARGT_SALTY Lysine/arginine/ornithine-binding periplasmic protein (Gene Name=argT)

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