Structure of PDB 1eyx Chain B Binding Site BS02

Receptor Information
>1eyx Chain B (length=177) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLDAFSRVISNADAKAAYVGGSDLQALRTFISDGNKRLDAVNYIVSNSSC
IVSDAISGMICENPGLITPGGNCYTNRRMAACLRDGEIILRYISYALLAG
DSSVLEDRCLNGLKETYIALGVPTNSTVRAVSIMKAAVGAFISNTASQRK
GEVIEGDCSALAAEIASYCDRISAAVS
Ligand information
Ligand IDPUB
InChIInChI=1S/C33H42N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h15,26-27,35H,7-14H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b28-15-/t26-,27+/m1/s1
InChIKeyKDCCOOGTVSRCHX-YYVBKQGDSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CCC1=C(C)C(=O)N[CH]1Cc2[nH]c(C=C3N=C(C[CH]4NC(=O)C(=C4C)CC)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C
OpenEye OEToolkits 1.5.0CCC1=C(C(=O)NC1Cc2c(c(c([nH]2)C=C3C(=C(C(=N3)CC4C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C
OpenEye OEToolkits 1.5.0CCC1=C(C(=O)N[C@H]1Cc2c(c(c([nH]2)\C=C/3\C(=C(C(=N3)C[C@@H]4C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C
CACTVS 3.341CCC1=C(C)C(=O)N[C@H]1Cc2[nH]c(\C=C3/N=C(C[C@H]4NC(=O)C(=C4C)CC)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C
FormulaC33 H42 N4 O6
NamePHYCOUROBILIN
ChEMBL
DrugBank
ZINCZINC000040164449
PDB chain1eyx Chain B Residue 179 [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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PDB1eyx Crystallization and 2.2 A resolution structure of R-phycoerythrin from Gracilaria chilensis: a case of perfect hemihedral twinning.
Resolution2.25 Å
Binding residue
(original residue number in PDB)		C50 D54 G58 C61 I133 A136 A137 F141 S147 Q148
Binding residue
(residue number reindexed from 1)		C50 D54 G58 C61 I133 A136 A137 F141 S147 Q148
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Cellular Component
GO:0009507 chloroplast
GO:0009535 chloroplast thylakoid membrane
GO:0009579 thylakoid
GO:0016020 membrane
GO:0030089 phycobilisome

View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1eyx, PDBe:1eyx, PDBj:1eyx
PDBsum1eyx
PubMed11134927
UniProtQ7SIF9|PHEB_AGACH R-phycoerythrin beta chain (Gene Name=rpeB)

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