Structure of PDB 8si6 Chain C Binding Site BS04

Receptor Information
>8si6 Chain C (length=1107) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QKSWIESTLTKRECVYIIPSSKDPHRCLPGCQICQQLVRCFCGRLVKQHA
CFTASLAMKYSDVKLGEHFNQAIEEWSVEKHTEQSPTDAYGVINFQGGSH
SYRAKYVRLSYDTKPEIILQLLLKEWQMELPKLVISVHGGMQKFELHPRI
KQLLGKGLIKAAVTTGAWILTGGVNTGVAKHVGDALKEHASRSSRKICTI
GIAPWGVIENRNDLVGRDVVAPYQTLLNPLSKLNVLNNLHSHFILVDDGT
VGKYGAEVRLRRELEKTINQQRIHARIGQGVPVVALIFEGGPNVILTVLE
YLQESPPVPVVVCEGTGRAADLLAYIHKQTEEGGNLPDAAEPDIISTIKK
TFNFGQSEAVHLFQTMMECMKKKELITVFHIGSEDHQDIDVAILTALLKG
TNASAFDQLILTLAWDRVDIAKNHVFVYGQQWLVGSLEQAMLDALVMDRV
SFVKLLIENGVSMHKFLTIPRLEELYNTKQGPTNPMLFHLIRDVKQGNLP
PGYKITLIDIGLVIEYLMGGTYRCTYTRKRFRLIYNSLETKRFPYPLNEL
LIWACLMKRQVMARFLWQHGEESMAKALVACKIYRSMAYEAKQSDLVDDT
SEELKQYSNDFGQLAVELLEQSFRQDETMAMKLLTYELKNWSNSTCLKLA
VSSRLRPFVAHTCTQMLLSDMWMGRLNMRKNSWYKVILSILVPPAILMLE
YKTKAEMSHIPQSQDAHQMTMEKKLPITRKFYAFYHAPIVKFWFNTLAYL
GFLMLYTFVVLVKMEQLPSVQEWIVIAYIFTYAIEKVREVFMSEAGKISQ
KIKVWFSDYFNVSDTIAIISFFVGFGLRFGAKWNYINAYDNHVFVAGRLI
YCLNIIFWYVRLLDFLAVNQQAGPYVMMIGKMVANMFYIVVIMALVLLSF
GVPRKAILYPHEEPSWSLAKDIVFHPYWMIFGEVYAYEIDVCANDSTLPT
ICGPGTWLTPFLQAVYLFVQYIIMVNLLIAFFNNVYLQVKAISNIVWKYQ
RYHFIMAYHEKPVLPPPLIILSHIVSLFCCVCKGPKLFLTEEDQKKLHDF
EEQCVEMYFDEKDDKFNSGSEERIRVTFERVEQMSIQIKEVGDRVNYIKR
SLQSLDS
Ligand information
Ligand IDZY8
InChIInChI=1S/C26H25NO4/c28-18-8-7-15-11-20-26(29)12-17-16-3-1-2-4-19(16)30-22(17)24-25(26,21(15)23(18)31-24)9-10-27(20)13-14-5-6-14/h1-4,7-8,14,20,24,28-29H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1
InChIKeyZHVWWEYETMPAMX-IFKAHUTRSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)c3c(o2)C4C56CCN(C(C5(C3)O)Cc7c6c(c(cc7)O)O4)CC8CC8
CACTVS 3.385Oc1ccc2C[CH]3N(CC[C]45[CH](Oc1c24)c6oc7ccccc7c6C[C]35O)CC8CC8
OpenEye OEToolkits 2.0.7c1ccc2c(c1)c3c(o2)[C@H]4[C@@]56CCN([C@@H]([C@@]5(C3)O)Cc7c6c(c(cc7)O)O4)CC8CC8
CACTVS 3.385Oc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)c6oc7ccccc7c6C[C@@]35O)CC8CC8
ACDLabs 12.01OC12Cc3c(oc4ccccc43)C3Oc4c(O)ccc5CC1N(CC1CC1)CCC32c54
FormulaC26 H25 N O4
Name(4bS,8R,8aS,14bR)-7-(cyclopropylmethyl)-5,6,7,8,9,14b-hexahydro-8aH-4,8-methanobis[1]benzofuro[3,2-e:2',3'-g]isoquinoline-1,8a-diol
ChEMBLCHEMBL100940
DrugBank
ZINCZINC000003874478
PDB chain8si6 Chain C Residue 1314 [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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PDB8si6 Structural mechanisms of TRPM7 activation and inhibition.
Resolution2.44 Å
Binding residue
(original residue number in PDB)		F924 D978 F979 A981 V990 M991 W1111 Q1114 F1118 Y1122
Binding residue
(residue number reindexed from 1)		F810 D864 F865 A867 V876 M877 W997 Q1000 F1004 Y1008
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.11.1: non-specific serine/threonine protein kinase.
Gene Ontology
Molecular Function
GO:0005216 monoatomic ion channel activity
Biological Process
GO:0006811 monoatomic ion transport
GO:0051262 protein tetramerization
GO:0055085 transmembrane transport
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8si6, PDBe:8si6, PDBj:8si6
PDBsum8si6
PubMed37156763
UniProtQ923J1|TRPM7_MOUSE Transient receptor potential cation channel subfamily M member 7 (Gene Name=Trpm7)

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