Structure of PDB 1b8d Chain A Binding Site BS01

Receptor Information
>1b8d Chain A (length=164) Species: 42003 (Griffithsia monilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKSVITTTISAADAAGRFPSSSDLESIQGNIQRAAARLEAAQKLSGNHEA
VVKEAGDACFAKYSYLKNAGEAGDSPEKINKCYRDIDHYMRLINYSLVVG
GTGPVDEWGIAGSREVYRALNLPGSAYIAAFTFTRDRLCVPRDMSSQAGV
EFTSALDYVINSLC
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 chain1b8d Chain A Residue 201 [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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PDB1b8d Crystal structure of a phycourobilin-containing phycoerythrin at 1.90-A resolution.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		F60 A72 K78 K81 C82 R84 D85 H88 Y89 W108 L122 Y127
Binding residue
(residue number reindexed from 1)		F60 A72 K78 K81 C82 R84 D85 H88 Y89 W108 L122 Y127
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:1b8d, PDBe:1b8d, PDBj:1b8d
PDBsum1b8d
PubMed10388620
UniProtO36005|PHEA_GRIMO R-phycoerythrin alpha chain (Gene Name=cpeA)

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