Structure of PDB 3iiu Chain M Binding Site BS06

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 IDJ7Z
InChIInChI=1S/C53H80O15/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-44(55)63-38-41(66-45(56)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)39-64-52-51(62)49(60)47(58)43(68-52)40-65-53-50(61)48(59)46(57)42(37-54)67-53/h5-8,11-14,17-19,21-23,26-29,32,34,41-43,46-54,57-62H,3-4,9-10,15-16,20,24-25,30-31,33,35-40H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,21-18-,23-22-,28-26-,29-27-,34-32-/t41-,42-,43-,46+,47+,48+,49+,50-,51-,52-,53+/m1/s1
InChIKeyGBUVPODJTFTLEC-ZHVHOYJFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OCC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)OC(=O)CC=CCC=CCC=CCC=CCC=CCC
CACTVS 3.352CC\C=C/C/C=C\C\C=C/C/C=C\C\C=C/CCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)C\C=C/C/C=C\C\C=C/C/C=C\C\C=C/CC
OpenEye OEToolkits 1.7.0CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)OC(=O)C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
CACTVS 3.352CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OC[CH](CO[CH]1O[CH](CO[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O)OC(=O)CC=CCC=CCC=CCC=CCC=CCC
ACDLabs 11.02O=C(OCC(OC(=O)C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC1OC(C(O)C(O)C1O)COC2OC(CO)C(O)C(O)C2O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
FormulaC53 H80 O15
Name(2S)-3-[(6-O-alpha-D-galactopyranosyl-beta-D-galactopyranosyl)oxy]-2-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoyloxy]propyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
ChEMBL
DrugBank
ZINCZINC000263620449
PDB chain3iiu Chain M Residue 615 [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)		Y108 V111 S112 P120 E133 Y136 E137
Binding residue
(residue number reindexed from 1)		Y109 V112 S113 P121 E134 Y137 E138
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016168 chlorophyll binding
Cellular Component
GO:0030076 light-harvesting complex

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Molecular Function
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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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