Structure of PDB 3ob6 Chain A Binding Site BS01

Receptor Information
>3ob6 Chain A (length=430) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADAHKVGLIPVTLMVSGNIMGSGVFLLPANLASTGGIAIYGWLVTIIGAL
GLSMVYAKMSFLDPSPGGSYAYARRCFGPFLGYQTNVLYWLACWIGAIAM
VVIGVGYLSYFFPILKDPLVLTITCVVVLWIFVLLNIVGPKMITRVQAVA
TVLALIPIVGIAVFGWFWFRGETYMAAWNVSGLGTFGAIQSTLNVTLWSF
IGVESASVAAGVVKNPKRNVPIATIGGVLIAAVCYVLSTTAIMGMIPNAA
LRVSASPFGDAARMALGDTAGAIVSFCAAAGCLGSLGGWTLLAGQTAKAA
ADDGLFPPIFARVNKAGTPVAGLIIVGILMTIFQLSSISPGLVSSVSVIF
TLVPYLYTCAALLLLGHGHFGKARPAYLAVTTIAFLYCIWAVVGSGAKEV
MWSFVTLMVITAMYALNYNRLHKNPYPLDA
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 chain3ob6 Chain A Residue 450 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ob6 Molecular basis of substrate-induced permeation by an amino acid antiporter.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		I23 S26 A96 G100 W293
Binding residue
(residue number reindexed from 1)		I19 S22 A92 G96 W289
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015297 antiporter activity
GO:0022857 transmembrane transporter activity
GO:0043862 arginine:agmatine antiporter activity
Biological Process
GO:0003333 amino acid transmembrane transport
GO:0006865 amino acid transport
GO:0015695 organic cation transport
GO:0055085 transmembrane transport
GO:1905039 carboxylic acid transmembrane transport
GO:1990451 cellular stress response to acidic pH
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:3ob6, PDBe:3ob6, PDBj:3ob6
PDBsum3ob6
PubMed21368142
UniProtP60061|ADIC_ECOLI Arginine/agmatine antiporter (Gene Name=adiC)

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