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●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

Structure of PDB 8hma Chain E Binding Site BS01

Receptor Information >8hma Chain E (length=1253) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] RRACISIVEWKPFEIIILLTIFANCVALAIYIPFPEDDSNATNSNLERVE YLFLIIFTVEAFLKVIAYGLLFHPNAYLRNGWNLLDFIIVVVGLFSAIFD VKALRAFRVLRPLRLVSGVPSLQVVLNSIIKAMVPLLHIALLVLFVIIIY AIIGLELFMGKMHKTCYNQEGIADVPAEDDPSPCALETGHGRQCQNGTVC KPGWDGPKHGITNFDNFAFAMLTVFQCITMEGWTDVLYWVNDAVGRDWPW IYFVTLIIIGSFFVLNLVLGVLSGEFSKEREKAKARGDFQKLREKQQLEE DLKGYLDWITQAEDIWNRFCRRKCRAAVKSNVFYWLVIFLVFLNTLTIAS EHYNQPNWLTEVQDTANKALLALFTAEMLLKMYSLGLQAYFVSLFNRFDC FVVCGGILETILVETKIMSPLGISVLRCVRLLRIFKITRYWNSLSNLVAS LLNSVRSIASLLLLLFLFIIIFSLLGMQLFGGKFNFDEMQTRRSTFDNFP QSLLTVFQILTGEDWNSVMYDGIMAYGGPSFPGMLVCIYFIILFICGNYI LLNVFLAIAVDNLADAESLTSAQKEEEEEKERKKLFRLQCHRIVNDTIFT NLILFFILLSSISLAAEDPVQHTSFRNHILFYFDIVFTTIFTLEIILKMT AYGAFLHKGSFCRNYFNILDLLVVSVSLISFGIQSSAINVVKILRVLRVL RPLRAINRAKGLKHVVQCVFVAIRTIGNIVIVTTLLQFMFACIGVQLFKG KLYTCSDSSKQTEAECKGNYITYKDGEVDHPIIQPRSWENSKFDFDNVLA AMMALFTVSTFEGWPELLYRSIDSHTEDKGPIYNYRVEISIFFIIYIIII AFFMMNIFVGFVIVTFQEQGEQEYKNCELDKNQRQCVEYALKARPLRRYI PKNQHQYKVWYVVNSTYFEYLMFVLILLNTICLAMQHYGQSCLFKIAMNI LNMLFTGLFTVEMILKLIAFKPKGYFSDPWNVFDFLIVIGSIIDVILSEV NPAEHTSITFFRLFRVMRLVKLLSRGEGIRTLLWTFIKSFQALPYVALLI VMLFFIYAVIGMQVFGKIALNDTTEINRNNNFQTFPQAVLLLFRCATGEA WQDIMLACMPGKKCAPESEPCGSSFAVFYFISFYMLCAFLIINLFVAVIM DNFDYLTRDWSILGPHHLDEFKRIWAEYDPEAKGRIKHLDVVTLLRRIQP CPHRVACKRLVSNATLFALVRTALRIKTEGNLEQANEELRAIIKKLLDQV VPP

Ligand information Ligand ID A1AC9 InChI InChI=1S/C38H40N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,14,16,19-22,29-30H,13,15,17-18H2,1-6H3/t29-,30?/m0/s1 InChIKey OUHWUXGBWHCKDH-UFXYQILXSA-N SMILES Software SMILES CACTVS 3.385 COc1ccc2C[C@@H]3N(C)C=Cc4cc(OC)c(OC)c(Oc5cc6[C@H](Cc7ccc(Oc1c2)cc7)N(C)CCc6cc5OC)c34 CACTVS 3.385 COc1ccc2C[CH]3N(C)C=Cc4cc(OC)c(OC)c(Oc5cc6[CH](Cc7ccc(Oc1c2)cc7)N(C)CCc6cc5OC)c34 ACDLabs 12.01 COc1c(OC)cc2C=CN(C)C3Cc4ccc(OC)c(c4)Oc4ccc(cc4)CC4c5cc(Oc1c32)c(OC)cc5CCN4C OpenEye OEToolkits 2.0.7 CN1CCc2cc(c3cc2C1Cc4ccc(cc4)Oc5cc(ccc5OC)CC6c7c(cc(c(c7O3)OC)OC)C=CN6C)OC OpenEye OEToolkits 2.0.7 CN1CCc2cc(c3cc2[C@@H]1Cc4ccc(cc4)Oc5cc(ccc5OC)CC6c7c(cc(c(c7O3)OC)OC)C=CN6C)OC Formula C38 H40 N2 O6 Name 6,6',7,12-tetramethoxy-2,2'-dimethyl-1beta-3,4-didehydroberbaman ChEMBL DrugBank ZINC PDB chain 8hma Chain E Residue 2304 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 8hma Structural bases of inhibitory mechanism of Ca V 1.2 channel inhibitors. Resolution 3.4 Å Binding residue (original residue number in PDB) L401 N741 N1179 A1461 I1516 F1519 Binding residue (residue number reindexed from 1) L269 N548 N856 A1096 I1142 F1145 Annotation score 1

Enzymatic activity Enzyme Commision number ?

Gene Ontology Molecular Function GO:0005216 monoatomic ion channel activity GO:0005245 voltage-gated calcium channel activity GO:0005262 calcium channel activity GO:0046872 metal ion binding

	Biological Process
GO:0006811	monoatomic ion transport
GO:0055085	transmembrane transport
GO:0070588	calcium ion transmembrane transport

	Cellular Component
GO:0005891	voltage-gated calcium channel complex
GO:0016020	membrane
GO:0030315	T-tubule
GO:0030425	dendrite
GO:0034702	monoatomic ion channel complex
GO:0042383	sarcolemma
GO:0042995	cell projection
GO:0043204	perikaryon
GO:0045202	synapse
GO:0045211	postsynaptic membrane
GO:0098839	postsynaptic density membrane

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