Structure of PDB 6kgx Chain IJ Binding Site BS02

Receptor Information
>6kgx Chain IJ (length=177) Species: 35688 (Porphyridium purpureum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLDAFSRVVVNSDAKAAYVGGSDLQALKSFIADGNKRLDAVNSIVSNASC
MVSDAVSGMICENPGLISPGGNCYTNRRMAACLRDGEIILRYVSYALLAG
DASVLEDRCLNGLKETYIALGVPTNSSIRAVSIMKAQAVAFITNTATERK
MSFAAGDCTSLASEVASYFDRVGAAIS
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 chain6kgx Chain IJ 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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PDB6kgx Structural basis of energy transfer in Porphyridium purpureum phycobilisome.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		N72 C73 R78 A81 C82 D85 I88 C109 L120 V122
Binding residue
(residue number reindexed from 1)		N72 C73 R78 A81 C82 D85 I88 C109 L120 V122
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:6kgx, PDBe:6kgx, PDBj:6kgx
PDBsum6kgx
PubMed32076272
UniProtP11393|PHEB_PORPP B-phycoerythrin beta chain (Gene Name=cpeB)

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