Structure of PDB 8cs9 Chain L Binding Site BS01

Receptor Information
>8cs9 Chain L (length=388) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRFTFPLMAIVLEIAMIVLFGLFVEYFELYPLFQDVHVMIFVGFGFLMTF
LKKYGFSSVGINLLVAALGLQWGTIVQGILQSQGQKFNIGIKNMINADFS
AATVLISFGAVLGKTSPTQMLIMTILEIVFFAHNEYLVSEIFKASDIGAS
MTIHAFGAYFGLAVAGILYRSGLRKGHENEESAYYSDLFAMIGTLFLWMF
WPSFNSAIAEPGDKQCRAIVNTYFSLAACVLTAFAFSSLVEHRGKLNMVH
IQNATLAGGVAVGTCADMAIHPFGSMIIGSIAGMVSVLGYKFLTPLFTTK
LRIHDTCGVHNLHGLPGVVGGLAGIVAVAMGASNTSMAMQAAALGSSIGT
AVVGGLMTGLILKLPLWGQPSDQNCYDDSVYWKVPKTR
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 chain8cs9 Chain L Residue 501 [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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PDB8cs9 Architecture of the human erythrocyte ankyrin-1 complex.
Resolution2.74 Å
Binding residue
(original residue number in PDB)		H292 F294 A344 V347
Binding residue
(residue number reindexed from 1)		H271 F273 A323 V326
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0008519 ammonium channel activity
GO:0015200 methylammonium transmembrane transporter activity
GO:0022840 leak channel activity
GO:0030506 ankyrin binding
GO:0035379 carbon dioxide transmembrane transporter activity
Biological Process
GO:0006873 intracellular monoatomic ion homeostasis
GO:0015670 carbon dioxide transport
GO:0015701 bicarbonate transport
GO:0035378 carbon dioxide transmembrane transport
GO:0048821 erythrocyte development
GO:0060586 multicellular organismal-level iron ion homeostasis
GO:0072488 ammonium transmembrane transport
GO:0072489 methylammonium transmembrane transport
GO:0097272 ammonium homeostasis
GO:0098662 inorganic cation transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0170014 ankyrin-1 complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8cs9, PDBe:8cs9, PDBj:8cs9
PDBsum8cs9
PubMed35835865
UniProtQ02094|RHAG_HUMAN Ammonium transporter Rh type A (Gene Name=RHAG)

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