Structure of PDB 6li9 Chain B Binding Site BS01

Receptor Information
>6li9 Chain B (length=458) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LGLISGISIIVGTIIGSGIFVSPKSVLSNTEAVGPCLIIWAACGVLATLG
ALCFAELGTMITKSGGEYPYLMEAYGPIPAYLFSWASLIVIKPTSFAIIC
LSFSEYVCAPFYVGCKPPQIVVKCLAAAAILFISTVNSLSVRLGSYVQNI
FTAAKLVIVAIIIISGLVLLAQGNTKNFDNSFEGAQLSVGAISLAFYNGL
WAYDGWNQLNYITEELRNPYRNLPLAIIIGIPLVTACYILMNVSYFTVMT
ATELLQSQAVAVTFGDRVLYPASWIVPLFVAFSTIGAANGTCFTAGRLIY
VAGREGHMLKVLSYISVRRLTPAPAIIFYGIIATIYIIPGDINSLVNYFS
FAAWLFYGLTILGLIVMRFTRKELERPIKVPVVIPVLMTLISVFLVLAPI
ISKPTWEYLYCVLFILSGLLFYFLFVHYKFGWAQKISKPITMHLQMLMEV
VPPEEDPE
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 chain6li9 Chain B Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6li9 Cryo-EM structure of the human heteromeric amino acid transporter b0,+AT-rBAT.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		I43 G45 S46 G47 W230 A231 D233
Binding residue
(residue number reindexed from 1)		I14 G16 S17 G18 W201 A202 D204
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0015171 amino acid transmembrane transporter activity
GO:0015175 neutral L-amino acid transmembrane transporter activity
GO:0015184 L-cystine transmembrane transporter activity
GO:0015297 antiporter activity
GO:0022857 transmembrane transporter activity
GO:0042605 peptide antigen binding
GO:0046982 protein heterodimerization activity
GO:0180009 broad specificity neutral L-amino acid:basic L-amino acid antiporter activity
Biological Process
GO:0003333 amino acid transmembrane transport
GO:0006865 amino acid transport
GO:0015804 neutral amino acid transport
GO:0015811 L-cystine transport
GO:0055085 transmembrane transport
GO:0065003 protein-containing complex assembly
GO:1902475 L-alpha-amino acid transmembrane transport
GO:1990822 basic amino acid transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0016324 apical plasma membrane
GO:0031526 brush border membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6li9, PDBe:6li9, PDBj:6li9
PDBsum6li9
PubMed32494597
UniProtP82251|BAT1_HUMAN b(0,+)-type amino acid transporter 1 (Gene Name=SLC7A9)

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