Structure of PDB 3iiu Chain M Binding Site BS05

Receptor Information
>3iiu Chain M (length=151) Species: 2961 (Amphidinium carterae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADEIGDAAKKLGDASYAFAKEVDWNNGIFLQAPGKLQPLEALKAIDKMIV
MGAAADPKLLKAAAEAHHKAIGSVSGPNGVTSRADWDSVLAALGRVIASV
PENMVMDVYDSVSKITDPKVPAYMKSLVNGADAEKAYEGFLAFKDVVKKS
Q
Ligand information
Ligand IDPID
InChIInChI=1S/C39H50O7/c1-26(16-17-33-35(4,5)24-32(44-28(3)40)25-37(33,8)43)14-12-10-11-13-15-27(2)20-31-21-29(34(42)45-31)18-19-39-36(6,7)22-30(41)23-38(39,9)46-39/h10-16,18-21,30,32,41,43H,22-25H2,1-9H3/b12-10+,13-11+,19-18+,26-14+,27-15+,31-20-/t17-,30-,32-,37+,38+,39-/m0/s1
InChIKeyUYRDHEJRPVSJFM-FROCQLDGSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CC(=O)O[CH]1CC(C)(C)[C](=[C]=[CH]C(C)=CC=CC=CC=C(C)C=C2OC(=O)C(=C2)C=C[C]34O[C]3(C)C[CH](O)CC4(C)C)[C](C)(O)C1
OpenEye OEToolkits 1.5.0CC(=CC=CC=CC=C(C)C=C1C=C(C(=O)O1)C=CC23C(CC(CC2(O3)C)O)(C)C)C=C=C4C(CC(CC4(C)O)OC(=O)C)(C)C
OpenEye OEToolkits 1.5.0CC(=C\C=C\C=C\C=C(/C)\C=C/1\C=C(C(=O)O1)\C=C\[C@]23C(C[C@@H](C[C@]2(O3)C)O)(C)C)C=C=C4C(C[C@@H](C[C@@]4(C)O)OC(=O)C)(C)C
ACDLabs 10.04O=C(OC4CC(\C(=C=C\C(=C\C=C\C=C\C=C(\C=C1/OC(=O)C(=C1)/C=C/C23OC3(C)CC(O)CC2(C)C)C)C)C(O)(C)C4)(C)C)C
CACTVS 3.341CC(=O)O[C@H]1CC(C)(C)[C](=[C@]=[CH]/C(C)=C/C=C/C=C/C=C(C)/C=C/2OC(=O)C(=C/2)/C=C/[C@@]34O[C@]3(C)C[C@@H](O)CC4(C)C)[C@](C)(O)C1
FormulaC39 H50 O7
NamePERIDININ
ChEMBL
DrugBank
ZINC
PDB chain3iiu Chain M Residue 614 [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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PDB3iiu Identification of a single peridinin sensing Chl-a excitation in reconstituted PCP by crystallography and spectroscopy.
Resolution1.45 Å
Binding residue
(original residue number in PDB)		W23 A69 I70 G78 V79 T80 W85 L92 I96 E101 V104 F139 K143 V146 Q150
Binding residue
(residue number reindexed from 1)		W24 A70 I71 G79 V80 T81 W86 L93 I97 E102 V105 F140 K144 V147 Q151
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016168 chlorophyll binding
Cellular Component
GO:0030076 light-harvesting complex

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:3iiu, PDBe:3iiu, PDBj:3iiu
PDBsum3iiu
PubMed19934052
UniProtP80484|PCP1_AMPCA Peridinin-chlorophyll a-binding protein 1, chloroplastic

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