Structure of PDB 1bbp Chain D Binding Site BS01
Receptor Information
>1bbp Chain D (length=173) Species:
7116
(Pieris brassicae) [
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NVYHDGACPEVKPVDNFDWSNYHGKWWEVAKYPNSVEKYGKCGWAEYTPE
GKSVKVSNYHVIHGKEYFIEGTAYPVGDSKIGKIYHKLTYGGVTKENVFN
VLSTDNKNYIIGYYCKYDEDKKGHQDFVWVLSRSKVLTGEAKTAVENYLI
GSPVVDSQKLVYSDFSEAACKVN
Ligand information
Ligand ID
BLV
InChI
InChI=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-
InChIKey
ISQGGWQAVOHBFX-BGSBWKAWSA-N
SMILES
Software
SMILES
CACTVS 3.341
CC1=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 1.5.0
Cc1c(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 3.341
CC1=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 1.5.0
Cc1c(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
Formula
C33 H34 N4 O6
Name
BILIVERDIN IX GAMMA CHROMOPHORE
ChEMBL
DrugBank
DB02864
ZINC
ZINC000014880505
PDB chain
1bbp Chain D Residue 500 [
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Receptor-Ligand Complex Structure
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PDB
1bbp
Molecular structure of the bilin binding protein (BBP) from Pieris brassicae after refinement at 2.0 A resolution.
Resolution
2.0 Å
Binding residue
(original residue number in PDB)
E29 V37 E38 W45 A46 N59 Y60 H61 I70 Y94 N101 F103 Y118 K120 F131 W133
Binding residue
(residue number reindexed from 1)
E28 V36 E37 W44 A45 N58 Y59 H60 I69 Y90 N97 F99 Y114 K116 F127 W129
Annotation score
1
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
PDBsum
1bbp
PubMed
3430616
UniProt
P09464
|BBP_PIEBR Bilin-binding protein
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