Structure of PDB 8el3 Chain D Binding Site BS03

Receptor Information
>8el3 Chain D (length=173) Species: 464988 (Hemiselmis andersenii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FSKVITSADGKAAYVGGADLQALKKFVSEGNKRMDSVNAIVSNASCIVSD
SVSGMVCENPSLIAPNGGVYTNRKMAACLRDAEIILRYVSYSLLSGDSSV
LEDRCLNGLKETYASLGVPAAGNARTISIMKATVIGFITNNSQQKKLSTP
AGDCSALASEVGGYFDKVSSALA
Ligand information
Ligand IDPEB
InChIInChI=1S/C33H40N4O6/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/h8,14-15,19-20,26,34H,2,7,9-13H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b27-14-,29-15-/t19-,20-,26-/m1/s1
InChIKeyNKCBCVIFPXGHAV-WAVSMFBNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCC1C(C(=O)NC1=CC2=NC(=Cc3c(c(c([nH]3)CC4C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)C(=C2C)CCC(=O)O)C
OpenEye OEToolkits 1.5.0CC[C@@H]\1[C@H](C(=O)N/C1=C\C2=N/C(=C\c3c(c(c([nH]3)C[C@@H]4C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)/C(=C2C)CCC(=O)O)C
CACTVS 3.341CC[C@@H]1[C@@H](C)C(=O)N\C1=C/C2=N\C(=C/c3[nH]c(C[C@H]4NC(=O)C(=C4C)C=C)c(C)c3CCC(O)=O)C(=C2C)CCC(O)=O
CACTVS 3.341CC[CH]1[CH](C)C(=O)NC1=CC2=NC(=Cc3[nH]c(C[CH]4NC(=O)C(=C4C)C=C)c(C)c3CCC(O)=O)C(=C2C)CCC(O)=O
FormulaC33 H40 N4 O6
NamePHYCOERYTHROBILIN
ChEMBL
DrugBank
ZINCZINC000058633585
PDB chain8el3 Chain D Residue 203 [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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PDB8el3 Molecular dissection of the soluble photosynthetic antenna from the cryptophyte alga Hemiselmis andersenii
Resolution1.57 Å
Binding residue
(original residue number in PDB)		K28 N35 K36 M38 D39 I142 N144 T153 P154 A155 G156 C158
Binding residue
(residue number reindexed from 1)		K24 N31 K32 M34 D35 I138 N140 T149 P150 A151 G152 C154
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:8el3, PDBe:8el3, PDBj:8el3
PDBsum8el3
PubMed37957226
UniProtU5T8W0|PHEB_HEMAN Phycoerythrin beta subunit

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