Structure of PDB 6bwd Chain B Binding Site BS02

Receptor Information
>6bwd Chain B (length=771) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA
AAAAAAAAAAAAAAAAAGAAAKFLTIPRLEELYNTKQGPTNPMLFHLIYK
ITLIDIGLVIEYLMGGTYRCTYTRKRFRLIYNSLGGNNRRSGRNTSSSTP
QLRKSHKMRHNHFIKTAQPYRPKMDASMEEGKKKRTKDKRFPYPLNELLI
WACLMKRQVMARFLWQHGEESMAKALVACKIYRSMAYEAKQSDTSEELKQ
YSNDFGQLAVELLEQSFRQDETMAMKLLTYELKNWSNSTCLKLAVSSRLR
PFVAHTCTQMLLSDMWMGRLNMWYKVILSILVPPAILMLEYKTKAEMSHI
PQSQDAHQRKFYAFYHAPIVKFWFNTLAYLGFLMLYTFVVLVKMEQLPSV
QEWIVIAYIFTYAIEKVREVFMQKIKVWFSDYFNVSDTIAIISFFVGFGL
RFGAKWNYINAYDNHVFVAGRLIYCLNIIFWYVRLLDFLAVNQQAGPYVM
MIGKMVANMFYIVVIMALVLLSFGVPRKAILYPHEEPSWSLAKDIVFHPY
WMIFGEVYAYEIDVCANDSTLPTICGPGTWLTPFLQAVYLFVQYIIMVNL
LIAFFNNVYLQVKAISNIVWKYQRYHFIMAYHEKPVLPPPLIILSHIGPK
LFLTEEDQKKLHDFEEQCVEMYFDEKDDKFNSGSEERIRVTFERVEQMSI
QIKEVGDRVNYIKRSLQSLDS
Ligand information
Ligand IDY01
InChIInChI=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
InChIKeyWLNARFZDISHUGS-MIXBDBMTSA-N
SMILES
SoftwareSMILES
CACTVS 3.352CC(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 1.6.1CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)O)C)C
OpenEye OEToolkits 1.6.1CC(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 3.352CC(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
FormulaC31 H50 O4
NameCHOLESTEROL HEMISUCCINATE
ChEMBL
DrugBank
ZINCZINC000058638837
PDB chain6bwd Chain B Residue 1203 [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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PDB6bwd Structure of the mammalian TRPM7, a magnesium channel required during embryonic development.
Resolution3.7 Å
Binding residue
(original residue number in PDB)		M706 L707 F710 Q723
Binding residue
(residue number reindexed from 1)		M434 L435 F438 Q451
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:6bwd, PDBe:6bwd, PDBj:6bwd
PDBsum6bwd
PubMed30108148
UniProtQ923J1|TRPM7_MOUSE Transient receptor potential cation channel subfamily M member 7 (Gene Name=Trpm7)

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