Structure of PDB 7nf8 Chain B Binding Site BS01

Receptor Information
>7nf8 Chain B (length=455) Species: 9940 (Ovis aries) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ELGLFSGTCIIVGTIIGSGIFISPKSVLSNMEAVGPCLIIWAMCGVLATL
GALCFAELGTMITKSGGEYPYLMEAFGPIPAYLFSWSSLFVIKPSSFAII
CLSFSEYVCAPFYSGCSPPQVVIKTLAAAAILLISTVNALSVRLGSYVQN
VFTAAKMVIVVIIIISGLVLLAQGNTRNFENSFEGASLSVGSISLALYNG
LWAYDGWNQLNYITEELRNPFRNLPLAIIIGIPLVTGCYILMNVSYFTVM
TATELLQSQAVAVTFGDRVLYPASWIVPLFVAFSTIGAANGSCFTAGRLV
FVAGREGHMLKVLSYISVKRLTPAPAIMFHSMIAIIYIIPGDINSLVNYF
SFAAWLFYGLTITGLIVMRFTRKELKRPIKVPIFIPILVTLLSVFLVLAP
IISAPAWEYLYCVLFMLSGLVFYFLFVHYKFGWAQKISKPLTMHLQMLME
VVPPE
Ligand information
Ligand IDCLR
InChIInChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKeyHVYWMOMLDIMFJA-DPAQBDIFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
CACTVS 3.341CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
ACDLabs 10.04OC4CCC3(C(=CCC2C1C(C(C(C)CCCC(C)C)CC1)(C)CCC23)C4)C
OpenEye OEToolkits 1.5.0CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
CACTVS 3.341CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C
FormulaC27 H46 O
NameCHOLESTEROL
ChEMBLCHEMBL112570
DrugBankDB04540
ZINCZINC000003875383
PDB chain7nf8 Chain B Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7nf8 Ca 2+ -mediated higher-order assembly of heterodimers in amino acid transport system b 0,+ biogenesis and cystinuria.
Resolution2.83 Å
Binding residue
(original residue number in PDB)		I193 S194
Binding residue
(residue number reindexed from 1)		I165 S166
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
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: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:0015804 neutral amino acid transport
GO:0015811 L-cystine transport
GO:0055085 transmembrane transport
GO:1990822 basic amino acid transmembrane transport
Cellular Component
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:7nf8, PDBe:7nf8, PDBj:7nf8
PDBsum7nf8
PubMed35577790
UniProtA0A6P3EL78

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