Structure of PDB 2c9e Chain A Binding Site BS06

Receptor Information
>2c9e Chain A (length=317) Species: 2961 (Amphidinium carterae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DAIADASKRFSDATYPIAEKFDWGGSSAIAKYIADASAGNPRQAALAVEK
LLEVGLTMDPKLVRAAVEAHSKALDSAKKNAKLMASKEDFAAVNEALARM
IASADKQKFAALRTAFPESRELQGKLFAGNNAFEAEKAYDSFKALTSAVR
DASINGAKAPVIAEDGPVGRAAKKFSEATYPIMDKLDWGKSPEISKYIET
ASAKNPKMMADGIDKTLEVALTMNQNAINDAVFAHVRAIKGALNTPGLVA
ERDDFARVNLALAKMIATADPAKFKALLTAFPGNADLQMALFAANNPEQA
KAAYETFVALTSAVASS
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 chain2c9e Chain A Residue 1333 [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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PDB2c9e X-Ray Structure of the High-Salt Form of the Peridinin-Chlorophyll A-Protein from the Dinoflagellate Amphidinium Carterae: Modulation of the Spectral Properties of Pigments by the Protein Environment.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		A36 S37 F116 W197 S200 I203 Q297 M298 L300 F301 N304 Y313
Binding residue
(residue number reindexed from 1)		A36 S37 F116 W188 S191 I194 Q288 M289 L291 F292 N295 Y304
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016168 chlorophyll binding
GO:0046872 metal ion binding
Cellular Component
GO:0030076 light-harvesting complex

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Molecular Function
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Cellular Component
External links
PDB RCSB:2c9e, PDBe:2c9e, PDBj:2c9e
PDBsum2c9e
PubMed19371099
UniProtO76183

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