Structure of PDB 7mix Chain A Binding Site BS03

Receptor Information

>7mix Chain A (length=1326) Species: 9606 (Homo sapiens)

KYAKRITEWPPFEYMILATIIANCIVLALEQHLPDGDKTPMSERLDDTEP
YFIGIFCFEAGIKIIALGFVSYLRNGWNVMDFVVVLTGILATAGTDFDLR
TLRAVRVLRPLKLVSGIPSLQVVLKSIMKAMVPLLQIGLLLFFAILMFAI
IGLEFYMGKFHKACFPNSTDAEPVGDFPCGKEAPARLCEGDTECREYWPG
PNFGITNFDNILFAILTVFQCITMEGWTDILYNTNDAAGNTWNWLYFIPL
IIIGSFFMLNLVLGVLSGEFAKERERVENRRAFLKLRRQQQIERELNGYL
EWIFKAEEVMLAEEDRNFRRKEKMFRFFIRRMVKAQSFYWVVLCVVALNT
LCVAMVHYNQPRRLTTTLYFAEFVFLGLFLTEMSLKMYGLGPRSYFRSSF
NCFDFGVIVGSVFEVVWAAIKPGSSFGISVLRALRLLRIFKVTKYWSSLR
NLVVSLLNSMKSIISLLFLLFLFIVVFALLGMQLFGGQFNFQDETPTTNF
DTFPAAILTVFQILTGEDWNAVMYHGIESQGGVSKGMFSSFYFIVLTLFG
NYTLLNVFLAIAVDNLANAQELTKDEEEMEEAANQKLALQKAKEVAEVSP
MSAANISIAARQQNSAKARSVWEQRASQLRLQNLRASCEALRRFCHYIVT
MRYFEVVILVVIALSSIALAAEDPVRTDSPRNNALKYLDYIFTGVFTFEM
VIKMIDLWNILDFIVVSGALVAFAFSGSKGKDINTIKSLRVLRVLRPLKT
IKRLPKLKAVFDCVVNSLKNVLNILIVYMLFMFIFAVIAVQLFKGKFFYC
TDESKELERDCRGQYLDYEKEEVEAQPRQWKKYDFHYDNVLWALLTLFTV
STGEGWPMVLKHSVDATYEEQGPSPGYRMELSIFYVVYFVVFPFFFVNIF
VALIIITFQEQGDKVMSECSLEKNERACIDFAISAKPLTRYMPQNRQSFQ
YKTWTFVVSPPFEYFIMAMIALNTVVLMMKFYDAPYEYELMLKCLNIVFT
SMFSMECVLKIIAFGVLNYFRDAWNVFDFVTVLGSITDILVTEIAETNNF
INLSFLRLFRAARLIKLLRQGYTIRILLWTFVQSFKALPYVCLLIAMLFF
IYAIIGMQVFGNIALDDDTSINRHNNFRTFLQALMLLFRSATGEAWHEIM
LSCLSNQACDEQANATECGSDFAYFYFVSFIFLCSFLMLNLFVAVIMDNF
EYLTRDSSILGPHHLDEFIRVWAEYDPAACGRISYNDMFEMLKHMSPPLG
LGKKCPARVAYKRLVRMNMPISNEDMTVHFTSTLMALIRTALEIKLAPAG
TKQHQCDAELRKEISVVWANLPQKTL

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: 7mix Chain A Residue 2403

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7mix Structure of human Ca v 2.2 channel blocked by the painkiller ziconotide.
• Resolution: 3.0 Å
• Binding residue (original residue number in PDB): F617 L654 M1390 S1393 I1394 V1397
• Binding residue (residue number reindexed from 1): F471 L508 M879 S882 I883 V886
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0001540 amyloid-beta binding
• GO:0005216 monoatomic ion channel activity
• GO:0005245 voltage-gated calcium channel activity
• GO:0005262 calcium channel activity
• GO:0005509 calcium ion binding
• GO:0005515 protein binding
• GO:0005524 ATP binding
• GO:0008331 high voltage-gated calcium 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:0050804 modulation of chemical synaptic transmission
• GO:0055085 transmembrane transport
• GO:0070588 calcium ion transmembrane transport
• GO:0098703 calcium ion import across plasma membrane
• GO:1904645 response to amyloid-beta

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:7mix, PDBe:7mix, PDBj:7mix
• PDBsum: 7mix
• PubMed: 34234349
• UniProt: Q00975|CAC1B_HUMAN Voltage-dependent N-type calcium channel subunit alpha-1B (Gene Name=CACNA1B)