Structure of PDB 6co7 Chain B Binding Site BS01

Receptor Information
>6co7 Chain B (length=1061) Species: 45351 (Nematostella vectensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FTPLYDGGDSSHVHLNKFSRRECIRFVPKCTTKHPTNAYGEIDFEGYGGQ
KRAPYLRMSHDTDANLVITLMLKRWNLEIPNLVISVTGGAKSFVLKPRLR
EMFRRGLIKAAKTTGAWIITGGTNTGVMKHVGEAVKEQQLMFGSDTQVNV
IGIATWGIVDKQSDLISEKNGKYPALYSMEPTPGHQGAMLDPNHSHFFLV
DDGTEGKYGVEIGMRSRIEEAIMKVKTDSRSEAGSIGVPVVLLVLEGGPN
TVATMYELIKKKVPAVVIDGSGRAASVVGFAYNHTIKRNVDGQTINVIDP
QYEDEVRAKVVEVFGAKGADKTYSMIKDVLEDEKMISVYSLDGEISQDID
LAILKALLKANRSSPVAQLNLALAWNRIDLAKSDIFTEEQQWTTETLSAA
MLTALLDDKAEFAELFLQNGLSMREFLSLDILCKLYAEVPGNTTIKPLLQ
KEMGKRQVKTIDMDVVGEVIEELMGDMFESYYRKDGHYFGIDPLPTPYLD
VFLWAVLCNRRELARVLWEAGREPMAAALMASRLLKRMASRAQEDNTITD
ISSDLYDHARLFEERAVGVLDECFNENETLSQTLLVRELDHYSRMTALEL
AVSAESQDFIAHTSCQVLLTRLWMGTMAMNTRWWKVLVCLYLPVLIFPII
YFVPDEQHERQAAEREHQKSLNQDDSMEVIMRNKKLGFCDRIMHFYSAPF
SKFVGNVVGYLAFIFLYAYVVLFNFPRFDPAKTLGGIHPTEIVLYFWVFT
ILIEEIRQLAAKPPKYIKDKVSVYFSDTWNFVDIFSLTVFIIAIILRFFT
NSRIFTASRIILSLDIIFFIVRSLQIFSVNRLLGPKLVMIQKMMQDLAQF
IIILAVFTIAYGIALHAVMFPSPGIYARNNTWVTITSVVQYPYWQMYGEL
FLDEIQGEKPKEFGEVDPDGRWLSPLLLAIYMVFTNILLLNLLIAIFNYT
FERVQEDSDKVWKFQRYDLVQEYHSRPVFAPPLVLLGHILIFIRWVWRTM
KIGLSPAEMEQMDNWEFQAAEMYIHQQQQKNSGTLEERVRALGDRVDCIN
SQLNRVLDSMS
Ligand information
Ligand IDCLR
InChIInChI=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
InChIKeyHVYWMOMLDIMFJA-DPAQBDIFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
CACTVS 3.341CC(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 10.04OC4CCC3(C(=CCC2C1C(C(C(C)CCCC(C)C)CC1)(C)CCC23)C4)C
OpenEye OEToolkits 1.5.0CC(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 3.341CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C
FormulaC27 H46 O
NameCHOLESTEROL
ChEMBLCHEMBL112570
DrugBankDB04540
ZINCZINC000003875383
PDB chain6co7 Chain B Residue 3000 [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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PDB6co7 Structure of a TRPM2 channel in complex with Ca2+explains unique gating regulation.
Resolution3.07 Å
Binding residue
(original residue number in PDB)		V1027 Q1028 Y1031
Binding residue
(residue number reindexed from 1)		V889 Q890 Y893
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005216 monoatomic ion channel activity
GO:0005262 calcium channel activity
GO:0005272 sodium channel activity
GO:0015280 ligand-gated sodium channel activity
GO:0046872 metal ion binding
GO:0047631 ADP-ribose diphosphatase activity
GO:0099604 ligand-gated calcium channel activity
Biological Process
GO:0006811 monoatomic ion transport
GO:0006814 sodium ion transport
GO:0019722 calcium-mediated signaling
GO:0035725 sodium ion transmembrane transport
GO:0055085 transmembrane transport
GO:0070588 calcium ion transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6co7, PDBe:6co7, PDBj:6co7
PDBsum6co7
PubMed29745897
UniProtA7T1N0|TMP2L_NEMVE Transient receptor potential cation channel subfamily M member-like 2 (Gene Name=TRPM2)

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