Structure of PDB 8gvh Chain B Binding Site BS01

Receptor Information
>8gvh Chain B (length=788) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PHEVFVELNELLLDKNQEPQWRETARWIKFEEDVEEETERWGKPHVASLS
FRSLLELRRTLAHGAVLLDLDQQTLPGVAHQVVEQMVISDQIKAEDRANV
LRALLLKHSHPSDKSKHELKLLEKIPENAEATVVLVGCVEFLSRPTMAFV
RLREAVELDAVLEVPVPVRFLFLLLGPSSANMDYHEIGRSISTLMSDKQF
HEAAYLADEREDLLTAINAFLDCSVVLPPSEVQGEELLRSVAHFQRQMLK
KREEQGRDPLRRTGRPFGGLIRDVRRRYPHYLSDFRDALDPQCLAAVIFI
YFAALSPAITFGGLLGEKTQDLIGVSELIMSTALQGVVFCLLGAQPLLVI
GFSGPLLVFEEAFFSFCSSNHLEYLVGRVWIGFWLVFLALLMVALEGSFL
VRFVSRFTQEIFAFLISLIFIYETFYKLVKIFQEHPLHGCPRGQPNTALL
SLVLMAGTFFIAFFLRKFKNSRFFPGRIRRVIGDFGVPIAILIMVLVDYS
IEDTYTQKLSVPSGFSVTAPEKRGWVINPLGEKSPFPVWMMVASLLPAIL
VFILIFMETQITTLIISKKERMLQKGSGFHLDLLLIVAMGGICALFGLPW
LAAATVRSVTHANALTVMSKAVAPGDKPKIQEVKEQRVTGLLVALLVGLS
IVIGDLLRQIPLAVLFGIFLYMGVTSLNGIQFYERLHLLLMPPKHHPDVT
YVKKVRTLRMHLFTALQLLCLALLWAVMSTAASLAFPFILILTVPLRMVV
LTRIFTDREMKCLDANEAEPVFDEREGVDEYNEMPMPV
Ligand information
Ligand IDY01
InChIInChI=1S/C31H50O4/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(35-29(34)14-13-28(32)33)15-17-30(22,4)27(24)16-18-31(25,26)5/h9,20-21,23-27H,6-8,10-19H2,1-5H3,(H,32,33)/t21-,23+,24+,25-,26+,27+,30+,31-/m1/s1
InChIKeyWLNARFZDISHUGS-MIXBDBMTSA-N
SMILES
SoftwareSMILES
CACTVS 3.352CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCC(O)=O
OpenEye OEToolkits 1.6.1CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)O)C)C
OpenEye OEToolkits 1.6.1CC(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)OC(=O)CCC(=O)O)C)C
CACTVS 3.352CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](CC[C]4(C)[CH]3CC[C]12C)OC(=O)CCC(O)=O
FormulaC31 H50 O4
NameCHOLESTEROL HEMISUCCINATE
ChEMBL
DrugBank
ZINCZINC000058638837
PDB chain8gvh Chain B Residue 1301 [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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PDB8gvh The structural basis of the pH-homeostasis mediated by the Cl - /HCO 3 - exchanger, AE2.
Resolution3.32 Å
Binding residue
(original residue number in PDB)		L1142 L1161 L1165
Binding residue
(residue number reindexed from 1)		L689 L708 L712
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005452 solute:inorganic anion antiporter activity
GO:0005515 protein binding
GO:0008509 monoatomic anion transmembrane transporter activity
GO:0015075 monoatomic ion transmembrane transporter activity
GO:0015106 bicarbonate transmembrane transporter activity
GO:0015297 antiporter activity
GO:0019899 enzyme binding
GO:0022857 transmembrane transporter activity
GO:0140900 chloride:bicarbonate antiporter activity
Biological Process
GO:0006811 monoatomic ion transport
GO:0006820 monoatomic anion transport
GO:0007283 spermatogenesis
GO:0015698 inorganic anion transport
GO:0015701 bicarbonate transport
GO:0030316 osteoclast differentiation
GO:0032956 regulation of actin cytoskeleton organization
GO:0034220 monoatomic ion transmembrane transport
GO:0043377 negative regulation of CD8-positive, alpha-beta T cell differentiation
GO:0045124 regulation of bone resorption
GO:0048565 digestive tract development
GO:0051453 regulation of intracellular pH
GO:0055085 transmembrane transport
GO:0070175 positive regulation of enamel mineralization
GO:0097186 amelogenesis
GO:0098656 monoatomic anion transmembrane transport
GO:0098660 inorganic ion transmembrane transport
GO:1902476 chloride transmembrane transport
GO:2000565 negative regulation of CD8-positive, alpha-beta T cell proliferation
Cellular Component
GO:0005886 plasma membrane
GO:0005925 focal adhesion
GO:0016020 membrane
GO:0016323 basolateral plasma membrane
GO:0016324 apical plasma membrane

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8gvh, PDBe:8gvh, PDBj:8gvh
PDBsum8gvh
PubMed37002221
UniProtP04920|B3A2_HUMAN Anion exchange protein 2 (Gene Name=SLC4A2)

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