Structure of PDB 7s96 Chain D Binding Site BS01

Receptor Information
>7s96 Chain D (length=176) Species: 478131 (Hemiselmis pacifica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LDAFSKVITSADGKAAYVGGADLQALKKFVSDGNKRMDAVNAIVSNASCI
VSDAVSGMVCENPSLIAPNGGVYSNRKMAACLRDAEIILRYVSYSLLSGD
SSVLEDRCLNGLKETYSSLGVPAAGNARAVAIMKATVNSFINNTAQQKKL
SVPSGDCSALASEAGGYFDKVTSAIA
Ligand information
Ligand IDDBV
InChIInChI=1S/C33H36N4O6/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/h7-8,14-15,26,35H,1-2,9-13H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b27-14-,28-15-/t26-/m1/s1
InChIKeyZQHDSLZHMAUUQK-ZTYGKHTCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1c(c([nH]c1\C=C/2\C(=C(C(=O)N2)C)C=C)\C=C/3\C(=C(C(=N3)C[C@@H]4C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O
OpenEye OEToolkits 1.5.0Cc1c(c([nH]c1C=C2C(=C(C(=O)N2)C)C=C)C=C3C(=C(C(=N3)CC4C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O
CACTVS 3.341CC1=C(C=C)C(=O)N[CH]1CC2=NC(=Cc3[nH]c(C=C4NC(=O)C(=C4C=C)C)c(C)c3CCC(O)=O)C(=C2C)CCC(O)=O
CACTVS 3.341CC1=C(C=C)C(=O)N[C@@H]1CC2=N\C(=C/c3[nH]c(\C=C4/NC(=O)C(=C4C=C)C)c(C)c3CCC(O)=O)C(=C2C)CCC(O)=O
FormulaC33 H36 N4 O6
Name15,16-DIHYDROBILIVERDIN
ChEMBL
DrugBank
ZINCZINC000056871439
PDB chain7s96 Chain D 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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PDB7s96 Controllable Phycobilin Modification: An Alternative Photoacclimation Response in Cryptophyte Algae.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		C50 D54 S57 G58 C61 R129 I133 A136 T137 S140 A146 Q148 K149
Binding residue
(residue number reindexed from 1)		C49 D53 S56 G57 C60 R128 I132 A135 T136 S139 A145 Q147 K148
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Cellular Component
GO:0009536 plastid
GO:0030089 phycobilisome

View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7s96, PDBe:7s96, PDBj:7s96
PDBsum7s96
PubMed35350600
UniProtA0A067XP89

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