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Structure of PDB 5y6p Chain a3 Binding Site BS01

Receptor Information
>5y6p Chain a3 (length=277) Species: 35689 (Griffithsia pacifica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VVDPFQRKFQSIGKIGIDYSRPKKLATYKRVGYSVGLDFPNAVSMAGHYS
LTDCTRAGGAAKILMKYDEYCAKGMLQVYKRSAVSTGVYTTKCTEATQPG
VAYDVRVFNRTAAFRQAQKPVNVRLGEQYAARKACVTLAHNCSREEAQFK
NMPMSCATFLAGKMEAMGTCYRTVRPSSKAEDYMAGSVRMQVYQKGNASG
VYPVGGCEDGHAKGDADLRRVIALASEYRAAQQGAAAVTGAQYASSKMAI
QLYGHSCNHEEGQFCDYPAVAAAMCRY
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 chain5y6p Chain a3 Residue 1001 [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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PDB5y6p Structure of phycobilisome from the red alga Griffithsia pacifica
Resolution3.5 Å
Binding residue
(original residue number in PDB)		P81 A87 G88 Y90 S91 L92 A158 R165
Binding residue
(residue number reindexed from 1)		P40 A46 G47 Y49 S50 L51 A117 R124
Annotation score4
External links

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