Structure of PDB 7xlq Chain A Binding Site BS05

Receptor Information

>7xlq Chain A (length=1319) Species: 9606 (Homo sapiens)

NIVRKYAKKLIDWPPFEYMILATIIANCIVLALEQHLPEDDKTPMSRRLE
KTEPYFIGIFCFEAGIKIVALGFIFHKGSYLRNGWNVMDFIVVLSGILAT
AGTHFNTHVDLRTLRAVRVLRPLKLVSGIPSLQIVLKSIMKAMVPLLQIG
LLLFFAILMFAIIGLEFYSGKLHRACFMNNSGILEGFDPPHPCGVQGCPA
GYECKDWIGPNDGITQFDNILFAVLTVFQCITMEGWTTVLYNTNDALGAT
WNWLYFIPLIIIGSFFVLNLVLGVLSGEFAKERERVENRRAFMKLRRQQQ
IERELNGYRAWIDKAHKERLLRISIRHMVKSQVFYWIVLSLVALNTACVA
IVHHNQPQWLTHLLYYAEFLFLGLFLLEMSLKMYGMGPRLYFHSSFNCFD
FGVTVGSIFEVVWAIFRPGTSFGISVLRALRLLRIFKITKYWASLRNLVV
SLMSSMKSIISLLFLLFLFIVVFALLGMQLFGGRFNFNDGTPSANFDTFP
AAIMTVFQILTGEDWNEVMYNGIRSQGGVSSGMWSAIYFIVLTLFGNYTL
LNVFLAIAVDNLANAQELTKDEQEEEEAFNQKHALRHHMSVWEQRTSQLR
KHRACHYIVNLRYFEMCILLVIAASSIALAAEDPVLTNSERNKVLRYFDY
VFTGVFTFEMVIKMIDQGLWNILDFVVVVGALVAFALANALGTNKGRDIK
TIKSLRVLRVLRPLKTIKRLPKLKAVFDCVVTSLKNVFNILIVYKLFMFI
FAVIAVQLFKGKFFYCTDSSKDTEKECIGNYVDHEKNKMEVKGREWKRHE
FHYDNIIWALLTLFTVSTGEGWPQVLQHSVDVTEEDRGPSRSNRMEMSIF
YVVYFVVFPFFFVNIFVALIIITFQEQGDKMMEECSLEKNERACIDFAIS
AKPLTRYMPQNRHTFQYRVWHFVVSPSFEYTIMAMIALNTVVLMMKYYSA
PCTYELALKYLNIAFTMVFSLECVLKVIAFGFLNYFRDTWNIFDFITVIG
SITEIILTDSKLVNTSGFNMSFLKLFRAARLIKLLRQGYTIRILLWTFVQ
SFKALPYVCLLIAMLFFIYAIIGMQVFGNIKLDEESHINRHNNFRSFFGS
LMLLFRSATGEAWQEIMLSCLGEKGCEPDTTAPSGQNENERCGTDLAYVY
FVSFIFFCSFLMLNLFVAVIMDNFEYLTRDSSILGPHHLDEFVRVWAEYD
RAACGRIHYTEMYEMLTLMSPPLGLGKRCPSKVAYKRLVLMNMPVAEDMT
VHFTSTLMALIRTALDIKIAKGGADRQQLDSELQKETLAIWPHLSQKMLD
LLVPMPKASDLTVGKIYAA

Ligand information

• Ligand ID: Y01
• InChI: InChI=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
• InChIKey: WLNARFZDISHUGS-MIXBDBMTSA-N
• SMILES:
  CACTVS 3.352: CC(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 1.6.1: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)O)C)C
  OpenEye OEToolkits 1.6.1: 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)OC(=O)CCC(=O)O)C)C
  CACTVS 3.352: CC(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
• Formula: C31 H50 O4
• Name: CHOLESTEROL HEMISUCCINATE
• ZINC: ZINC000058638837
• PDB chain: 7xlq Chain A Residue 2410

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7xlq Molecular insights into the gating mechanisms of voltage-gated calcium channel Ca V 2.3.
• Resolution: 3.1 Å
• Binding residue (original residue number in PDB): R1182 F1189
• Binding residue (residue number reindexed from 1): R641 F648
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0005216 monoatomic ion channel activity
• GO:0005245 voltage-gated calcium channel activity
• GO:0005262 calcium channel activity
• GO:0005509 calcium ion binding
• GO:0008331 high voltage-gated calcium channel activity
• GO:0022843 voltage-gated monoatomic cation channel activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006811 monoatomic ion transport
• GO:0006816 calcium ion transport
• GO:0007268 chemical synaptic transmission
• GO:0055085 transmembrane transport
• GO:0070588 calcium ion transmembrane transport
• GO:0098703 calcium ion import across plasma membrane

Cellular Component

• GO:0005886 plasma membrane
• GO:0005891 voltage-gated calcium channel complex
• GO:0016020 membrane
• GO:0034702 monoatomic ion channel complex
• GO:0043025 neuronal cell body
• GO:0045202 synapse

External links

• PDB: RCSB:7xlq, PDBe:7xlq, PDBj:7xlq
• PDBsum: 7xlq
• PubMed: 36720859
• UniProt: Q15878|CAC1E_HUMAN Voltage-dependent R-type calcium channel subunit alpha-1E (Gene Name=CACNA1E)