Structure of PDB 1bbp Chain A Binding Site BS01

Receptor Information
>1bbp Chain A (length=173) Species: 7116 (Pieris brassicae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NVYHDGACPEVKPVDNFDWSNYHGKWWEVAKYPNSVEKYGKCGWAEYTPE
GKSVKVSNYHVIHGKEYFIEGTAYPVGDSKIGKIYHKLTYGGVTKENVFN
VLSTDNKNYIIGYYCKYDEDKKGHQDFVWVLSRSKVLTGEAKTAVENYLI
GSPVVDSQKLVYSDFSEAACKVN
Ligand information
Ligand IDBLV
InChIInChI=1S/C33H34N4O6/c1-7-20-16(3)24(13-26-18(5)22(32(42)36-26)9-11-30(38)39)34-28(20)14-25-17(4)21(8-2)29(35-25)15-27-19(6)23(33(43)37-27)10-12-31(40)41/h7-8,13-15,34-35H,1-2,9-12H2,3-6H3,(H,36,42)(H,38,39)(H,40,41)/b25-14-,26-13-,29-15-
InChIKeyISQGGWQAVOHBFX-BGSBWKAWSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CC1=C(CCC(O)=O)C(=O)NC1=Cc2[nH]c(C=C3NC(=CC4=NC(=O)C(=C4C)CCC(O)=O)C(=C3C)C=C)c(C=C)c2C
OpenEye OEToolkits 1.5.0Cc1c(c([nH]c1C=C2C(=C(C(=O)N2)CCC(=O)O)C)\C=C/3\C(=C(C(=CC4=NC(=O)C(=C4C)CCC(=O)O)N3)C=C)C)C=C
CACTVS 3.341CC1=C(CCC(O)=O)C(=O)N\C1=C/c2[nH]c(\C=C3/N/C(=C\C4=NC(=O)C(=C4C)CCC(O)=O)C(=C3C)C=C)c(C=C)c2C
OpenEye OEToolkits 1.5.0Cc1c(c([nH]c1C=C2C(=C(C(=O)N2)CCC(=O)O)C)C=C3C(=C(C(=CC4=NC(=O)C(=C4C)CCC(=O)O)N3)C=C)C)C=C
FormulaC33 H34 N4 O6
NameBILIVERDIN IX GAMMA CHROMOPHORE
ChEMBL
DrugBankDB02864
ZINCZINC000014880505
PDB chain1bbp Chain A Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1bbp Molecular structure of the bilin binding protein (BBP) from Pieris brassicae after refinement at 2.0 A resolution.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		E29 V37 E38 A46 N59 H61 Y68 I70 L92 Y94 N101 F103 K120 F131 W133 L135
Binding residue
(residue number reindexed from 1)		E28 V36 E37 A45 N58 H60 Y67 I69 L88 Y90 N97 F99 K116 F127 W129 L131
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0031409 pigment binding
Biological Process
GO:0000302 response to reactive oxygen species
GO:0006629 lipid metabolic process
GO:0006950 response to stress
Cellular Component
GO:0005576 extracellular region
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1bbp, PDBe:1bbp, PDBj:1bbp
PDBsum1bbp
PubMed3430616
UniProtP09464|BBP_PIEBR Bilin-binding protein

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