Structure of PDB 7e2z Chain R Binding Site BS04

Receptor Information

>7e2z Chain R (length=278) Species: 562,9606

YQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLM
VSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSIWHLCAIALDR
YWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWPDACTISKD
HGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKKNERNAEAKRKMAL
ARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPTLLGAIINW
LGYSNSLLNPVIYAYFNKDFQNAFKKII

Ligand information

• Ligand ID: J40
• InChI: InChI=1S/C39H68O16P2/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-33(41)53-31(29-51-32(40)27-25-23-21-19-17-14-12-10-8-6-4-2)30-52-57(49,50)55-39-36(44)34(42)38(35(43)37(39)45)54-56(46,47)48/h3,5,9,11,15-16,20,22,31,34-39,42-45H,4,6-8,10,12-14,17-19,21,23-30H2,1-2H3,(H,49,50)(H2,46,47,48)/b5-3?,11-9?,16-15+,22-20+/t31-,34-,35+,36-,37-,38+,39+/m1/s1
• InChIKey: KFDYJTVTHSTWNE-UDQXHECVSA-N
• SMILES:
  CACTVS 3.385: CCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O[P](O)(O)=O)[C@H](O)[C@H]1O)OC(=O)CCC/C=C/C/C=C/C\C=C/C\C=C/C
  OpenEye OEToolkits 2.0.7: CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)O)OP(=O)(O)O)O)O)OC(=O)CCCC=CCC=CCC=CCC=CC
  OpenEye OEToolkits 2.0.7: CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)OP(=O)(O)O)O)O)OC(=O)CCC/C=C/C/C=C/CC=CCC=CC
  CACTVS 3.385: CCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O[P](O)(O)=O)[CH](O)[CH]1O)OC(=O)CCCC=CCC=CCC=CCC=CC
• Formula: C39 H68 O16 P2
• Name: [(2R)-1-[oxidanyl-[(2R,3R,5S,6R)-2,3,5,6-tetrakis(oxidanyl)-4-phosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-3-tetradecanoyloxy-propan-2-yl] (5E,8E)-hexadeca-5,8,11,14-tetraenoate
• PDB chain: 7e2z Chain R Residue 505

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7e2z Structural insights into the lipid and ligand regulation of serotonin receptors.
• Resolution: 3.1 Å
• Binding residue (original residue number in PDB): Y402 F403
• Binding residue (residue number reindexed from 1): Y265 F266
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0001586 Gi/o-coupled serotonin receptor activity
• GO:0004930 G protein-coupled receptor activity
• GO:0004993 G protein-coupled serotonin receptor activity
• GO:0005506 iron ion binding
• GO:0005515 protein binding
• GO:0009055 electron transfer activity
• GO:0020037 heme binding
• GO:0030594 neurotransmitter receptor activity
• GO:0046872 metal ion binding
• GO:0051378 serotonin binding
• GO:0090722 receptor-receptor interaction
• GO:0099589 serotonin receptor activity

Biological Process

• GO:0001662 behavioral fear response
• GO:0007186 G protein-coupled receptor signaling pathway
• GO:0007187 G protein-coupled receptor signaling pathway, coupled to cyclic nucleotide second messenger
• GO:0007198 adenylate cyclase-inhibiting serotonin receptor signaling pathway
• GO:0007210 serotonin receptor signaling pathway
• GO:0007214 gamma-aminobutyric acid signaling pathway
• GO:0007268 chemical synaptic transmission
• GO:0008284 positive regulation of cell population proliferation
• GO:0014062 regulation of serotonin secretion
• GO:0019229 regulation of vasoconstriction
• GO:0022900 electron transport chain
• GO:0035640 exploration behavior
• GO:0042053 regulation of dopamine metabolic process
• GO:0042428 serotonin metabolic process
• GO:0046883 regulation of hormone secretion
• GO:0050795 regulation of behavior

Cellular Component

• GO:0005886 plasma membrane
• GO:0016020 membrane
• GO:0030425 dendrite
• GO:0042597 periplasmic space
• GO:0042995 cell projection
• GO:0045202 synapse

External links

• PDB: RCSB:7e2z, PDBe:7e2z, PDBj:7e2z
• PDBsum: 7e2z
• PubMed: 33762731
• UniProt: P08908|5HT1A_HUMAN 5-hydroxytryptamine receptor 1A (Gene Name=HTR1A);
  P0ABE7|C562_ECOLX Soluble cytochrome b562 (Gene Name=cybC)