Structure of PDB 6f34 Chain A Binding Site BS02

Receptor Information
>6f34 Chain A (length=458) Species: 235909 (Geobacillus kaustophilus HTA426) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNLFRKKPIQLLMKESGAKGASLRKELGAFDLTMLGIGAIIGTGIFVLTG
VAAAEHAGPALVLSFILSGLACVFAALCYAEFASTVPVSGSAYTYSYATF
GELIAWILGWDLILEYGVASSAVAVGWSGYFQGLLSGELPKALTSAYDPA
KGTFIDLPAIIIVLFITFLLNLGAKKSARFNAVIVAIKVAVVLLFLAVGV
WYVKPENWTPFMPYGFSGVATGAATVFFAYIGFDAVSTAAEEVRNPQRDM
PIGIIVSLLVCTLLYIAVSLVLTGIVPYEQLNVKNPVAFALNYIHQDWVA
GFISLGAIAGITTVLLVSMYGQTRLFYAISRDGLLPKVFARISPTRQVPY
VNTWLTGAAVAVFAGIIPLNKLAELTNIGTLFAFITVSIGVLVLRKTQPD
LKRAFRVPFVPVVPILAVLFCGYLVLQLPAMTWIGFVSWLLIGLVIYFIY
GRKHSELN
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 chain6f34 Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6f34 Structural basis for amino acid transport by the CAT family of SLC7 transporters.
Resolution3.13 Å
Binding residue
(original residue number in PDB)		I40 G42 T43 G44 E115 Y116 A119 F231 A232 I234 V317
Binding residue
(residue number reindexed from 1)		I40 G42 T43 G44 E115 Y116 A119 F228 A229 I231 V314
Annotation score4
Binding affinityPDBbind-CN: -logKd/Ki=4.94,IC50=11.4uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015171 amino acid transmembrane transporter activity
GO:0022857 transmembrane transporter activity
Biological Process
GO:0003333 amino acid transmembrane transport
GO:0006865 amino acid transport
GO:0055085 transmembrane transport
Cellular Component
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:6f34, PDBe:6f34, PDBj:6f34
PDBsum6f34
PubMed29416041
UniProtQ5L1G5

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