Structure of PDB 1z24 Chain A Binding Site BS01
Receptor Information
>1z24 Chain A (length=189) Species:
7130
(Manduca sexta) [
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GDIFYPGYCPDVKPVNDFDLSAFAGAWHEIAKLPLENENQGKCTIAEYKY
DGKKASVYNSFVSNGVKEYMEGDLEIAPDAKYTKQGKYVMTFKFGQRVVN
LVPWVLATDYKNYAINYNCDYHPDKKAHSIHAWILSKSKVLEGNTKEVVD
NVLKTFSHLIDASKFISNDFSEAACQYSTTYSLTGPDRH
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
1z24 Chain A Residue 195 [
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Receptor-Ligand Complex Structure
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PDB
1z24
The molecular structure of insecticyanin from the tobacco hornworm Manduca sexta L. at 2.6 A resolution.
Resolution
2.6 Å
Binding residue
(original residue number in PDB)
L35 N37 T44 I45 N59 S60 F61 M70 F94 R97 L101 N118 D120 H131 W133
Binding residue
(residue number reindexed from 1)
L35 N37 T44 I45 N59 S60 F61 M70 F94 R97 L101 N118 D120 H131 W133
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
View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:1z24
,
PDBe:1z24
,
PDBj:1z24
PDBsum
1z24
PubMed
3608987
UniProt
P00305
|ICYA_MANSE Insecticyanin-A (Gene Name=INSA)
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