Structure of PDB 8si5 Chain B Binding Site BS04

Receptor Information
>8si5 Chain B (length=1097) 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
YKTKAEMSHIPQSQLPITRKFYAFYHAPIVKFWFNTLAYLGFLMLYTFVV
LVKMEQLPSVQEWIVIAYIFTYAIEKVREVFMSEAGKISQKIKVWFSDYF
NVSDTIAIISFFVGFGLRFGAKWNYINAYDNHVFVAGRLIYCLNIIFWYV
RLLDFLAVNQQAGPYVMMIGKMVANMFYIVVIMALVLLSFGVPRKAILYP
HEEPSWSLAKDIVFHPYWMIFGEVYAYEIDVCANDSTLPTICGPGTWLTP
FLQAVYLFVQYIIMVNLLIAFFNNVYLQVKAISNIVWKYQRYHFIMAYHE
KPVLPPPLIILSHIVSLFCCVCKGPKLFLTEEDQKKLHDFEEQCVEMYFD
EKDDKFNSGSEERIRVTFERVEQMSIQIKEVGDRVNYIKRSLQSLDS
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 chain8si5 Chain B Residue 1312 [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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PDB8si5 Structural mechanisms of TRPM7 activation and inhibition.
Resolution2.17 Å
Binding residue
(original residue number in PDB)		M741 D745 M748 M753
Binding residue
(residue number reindexed from 1)		M666 D670 M673 M678
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:8si5, PDBe:8si5, PDBj:8si5
PDBsum8si5
PubMed37156763
UniProtQ923J1|TRPM7_MOUSE Transient receptor potential cation channel subfamily M member 7 (Gene Name=Trpm7)

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