Structure of PDB 3ob6 Chain B Binding Site BS01

Receptor Information
>3ob6 Chain B (length=436) 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
ADDGLFPPIFARVNKAGTPVAGLIIVGILMTIFQLSSISPNATKEFGLVS
SVSVIFTLVPYLYTCAALLLLGHGHFGKARPAYLAVTTIAFLYCIWAVVG
SGAKEVMWSFVTLMVITAMYALNYNRLHKNPYPLDA
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 B Residue 450 [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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PDB3ob6 Molecular basis of substrate-induced permeation by an amino acid antiporter.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		I23 I205
Binding residue
(residue number reindexed from 1)		I19 I201
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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