Structure of PDB 3l1l Chain A Binding Site BS01

Receptor Information
>3l1l Chain A (length=423) Species: 83334 (Escherichia coli O157:H7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AHKVGLIPVTLMVSGAIMGSGVFLLPANLASTGGIAIYGWLVTIIGALGL
SMVYAKMSFLDPSPGGSYAYARRCFGPFLGYQTNVLYWLACWIGNIAMVV
IGVGYLSYFFPILKDPWVLTITCVVVLWIFVLLNIVGPKMITRVQAVATV
LALIPIVGIAVFGWFWFRGETYMAAIQSTLNVTLWSFIGVESASVAAGVV
KNPKRNVPIATIGGVLIAAVCYVLSTTAIMGMIPNAALRVSASPFGDAAR
MALGDTAGAIVSFCAAAGCLGSLGGWTLLAGQTAKAAADDGLFPPIFARV
NKAGTPVAGLIIVGILMTIFQLSSISPNATKEFGLVSSVSVIFTLVPYLY
TCAALLLLGHGHFGKARPAYLAVTTIAFLYCIWAVVGSGAKEVMWSFVTL
MVITAMYALNYNRLHKNPYPLDA
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 chain3l1l Chain A Residue 446 [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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PDB3l1l Mechanism of substrate recognition and transport by an amino acid antiporter
Resolution3.002 Å
Binding residue
(original residue number in PDB)		I23 S26 G27 G100 N101 W202 S203 I205 W293
Binding residue
(residue number reindexed from 1)		I17 S20 G21 G94 N95 W185 S186 I188 W276
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015297 antiporter activity
GO:0022857 transmembrane transporter activity
GO:0042802 identical protein binding
Biological Process
GO:0006865 amino acid transport
GO:0055085 transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3l1l, PDBe:3l1l, PDBj:3l1l
PDBsum3l1l
PubMed20090677
UniProtP60063|ADIC_ECO57 Arginine/agmatine antiporter (Gene Name=adiC)

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