Structure of PDB 4z34 Chain A Binding Site BS01

Receptor Information
>4z34 Chain A (length=385) Species: 562,9606 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NEPQCFYNESIAFFYNRSGKHLATEWNTVSKLVMGLGITVCIFIMLANLL
VMVAIYVNRRFHFPIYYLMANLAAADFFAGLAYFYLMFNTGPNTRRLTVS
TWLLRQGLIDTSLTASVANLLAIAIERHITVFRMQLHTRMSNRRVVVVIV
VIWTMAIVMGAIPSVGWNCICDIENCSNMAPLYSDSYLVFWAIFNLVTFV
VMVVLYAHIFGYVADLEDNWETLNDNLKVIEKADNAAQVKDALTKMRAAA
LDAQKAMKDFRHGFDILVGQIDDALKLANEGKVKEAQAAAEQLKTTRNAY
IQKYLRNRDTMMSLLKTVVIVLGAFIICWTPGLVLLLLDVCCPQCDVLAY
EKFFLLLAEFNSAMNPIIYSYRDKEMSATFRQILG
Ligand information
Ligand IDON7
InChIInChI=1S/C30H35NO7/c1-18-26(36-2)12-22(13-27(18)37-3)29(34)24(11-19-9-20-7-5-6-8-21(20)10-19)16-31-15-23(14-28(32)33)25(17-31)30(35)38-4/h5-8,12-13,15,17,19,24,29,34H,9-11,14,16H2,1-4H3,(H,32,33)/t24-,29+/m0/s1
InChIKeyPMPFDANPLYTSTM-PWUYWRBVSA-N
SMILES
SoftwareSMILES
CACTVS 3.385COC(=O)c1cn(C[CH](CC2Cc3ccccc3C2)[CH](O)c4cc(OC)c(C)c(OC)c4)cc1CC(O)=O
OpenEye OEToolkits 1.9.2Cc1c(cc(cc1OC)[C@H]([C@@H](CC2Cc3ccccc3C2)Cn4cc(c(c4)C(=O)OC)CC(=O)O)O)OC
CACTVS 3.385COC(=O)c1cn(C[C@H](CC2Cc3ccccc3C2)[C@H](O)c4cc(OC)c(C)c(OC)c4)cc1CC(O)=O
ACDLabs 12.01O=C(c1c(cn(c1)CC(C(O)c2cc(OC)c(C)c(c2)OC)CC4Cc3ccccc3C4)CC(=O)O)OC
OpenEye OEToolkits 1.9.2Cc1c(cc(cc1OC)C(C(CC2Cc3ccccc3C2)Cn4cc(c(c4)C(=O)OC)CC(=O)O)O)OC
FormulaC30 H35 N O7
Name{1-[(2S,3S)-2-(2,3-dihydro-1H-inden-2-ylmethyl)-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-4-(methoxycarbonyl)-1 H-pyrrol-3-yl}acetic acid;
ONO9780307
ChEMBL
DrugBank
ZINCZINC000036436532
PDB chain4z34 Chain A Residue 2001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4z34 Crystal Structure of Antagonist Bound Human Lysophosphatidic Acid Receptor 1.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		K39 T109 Q125 I128 M198 W271 G274 L278 E293 F296 L297
Binding residue
(residue number reindexed from 1)		K20 T90 Q106 I109 M179 W329 G332 L336 E351 F354 L355
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004930 G protein-coupled receptor activity
GO:0005506 iron ion binding
GO:0009055 electron transfer activity
GO:0020037 heme binding
GO:0070915 lysophosphatidic acid receptor activity
Biological Process
GO:0007186 G protein-coupled receptor signaling pathway
GO:0022900 electron transport chain
Cellular Component
GO:0016020 membrane
GO:0042597 periplasmic space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4z34, PDBe:4z34, PDBj:4z34
PDBsum4z34
PubMed26091040
UniProtP0ABE7|C562_ECOLX Soluble cytochrome b562 (Gene Name=cybC);
Q92633|LPAR1_HUMAN Lysophosphatidic acid receptor 1 (Gene Name=LPAR1)

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