Structure of PDB 8ijl Chain B Binding Site BS01
Receptor Information
>8ijl Chain B (length=266) Species:
10114
(Rattus) [
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TGGSWFKILLFYVIFYGCLAGIFIGTIQVMLLTISELKPTYQDRVAPPGL
TQIPQIQKTEISFRPNDPKSYEAYVLNIIRFLEKYKDSAQKDDMIFEDCG
SMPSEPKERGEFNHERGERKVCRFKLDWLGNCSGLNDESYGYKEGKPCII
IKLNRVLGFKPKPPKNYNPNVLPVQCTGKRDEDKDKVGNIEYFGMGGFYG
FPLQYYPYYGKLLQPKYLQPLLAVQFTNLTLDTEIRIECKAYGENIGYSE
KDRFQGRFDVKIEVKS
Ligand information
Ligand ID
CLR
InChI
InChI=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
InChIKey
HVYWMOMLDIMFJA-DPAQBDIFSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
CACTVS 3.341
CC(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 10.04
OC4CCC3(C(=CCC2C1C(C(C(C)CCCC(C)C)CC1)(C)CCC23)C4)C
OpenEye OEToolkits 1.5.0
CC(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 3.341
CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C
Formula
C27 H46 O
Name
CHOLESTEROL
ChEMBL
CHEMBL112570
DrugBank
DB04540
ZINC
ZINC000003875383
PDB chain
8ijl Chain B Residue 402 [
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Receptor-Ligand Complex Structure
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PDB
8ijl
An unusual conformation from Na + -sensitive non-gastric proton pump mutants reveals molecular mechanisms of cooperative Na + -binding.
Resolution
2.62 Å
Binding residue
(original residue number in PDB)
W32 Y39 Y43
Binding residue
(residue number reindexed from 1)
W5 Y12 Y16
Annotation score
1
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0001671
ATPase activator activity
GO:0005391
P-type sodium:potassium-exchanging transporter activity
GO:0005515
protein binding
GO:0019901
protein kinase binding
GO:0030674
protein-macromolecule adaptor activity
GO:0046982
protein heterodimerization activity
GO:0051117
ATPase binding
Biological Process
GO:0001666
response to hypoxia
GO:0001824
blastocyst development
GO:0006813
potassium ion transport
GO:0006814
sodium ion transport
GO:0006874
intracellular calcium ion homeostasis
GO:0006883
intracellular sodium ion homeostasis
GO:0007155
cell adhesion
GO:0010248
establishment or maintenance of transmembrane electrochemical gradient
GO:0010468
regulation of gene expression
GO:0010882
regulation of cardiac muscle contraction by calcium ion signaling
GO:0030001
metal ion transport
GO:0030007
intracellular potassium ion homeostasis
GO:0035725
sodium ion transmembrane transport
GO:0036376
sodium ion export across plasma membrane
GO:0045087
innate immune response
GO:0046034
ATP metabolic process
GO:0050821
protein stabilization
GO:0055119
relaxation of cardiac muscle
GO:0060048
cardiac muscle contraction
GO:0072659
protein localization to plasma membrane
GO:0086009
membrane repolarization
GO:0098655
monoatomic cation transmembrane transport
GO:1903169
regulation of calcium ion transmembrane transport
GO:1903278
positive regulation of sodium ion export across plasma membrane
GO:1903288
positive regulation of potassium ion import across plasma membrane
GO:1990573
potassium ion import across plasma membrane
Cellular Component
GO:0005886
plasma membrane
GO:0005890
sodium:potassium-exchanging ATPase complex
GO:0005901
caveola
GO:0014704
intercalated disc
GO:0016020
membrane
GO:0016323
basolateral plasma membrane
GO:0016324
apical plasma membrane
GO:0016328
lateral plasma membrane
GO:0030315
T-tubule
GO:0031090
organelle membrane
GO:0036126
sperm flagellum
GO:0042383
sarcolemma
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:8ijl
,
PDBe:8ijl
,
PDBj:8ijl
PDBsum
8ijl
PubMed
37482134
UniProt
P07340
|AT1B1_RAT Sodium/potassium-transporting ATPase subunit beta-1 (Gene Name=Atp1b1)
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