Structure of PDB 7tja Chain E Binding Site BS01

Receptor Information
>7tja Chain E (length=74) Species: 77928 (Proteomonas sulcata) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GMDKSAKAPAITIFDHRGCSRAPKESSAKSGSQDDEMLVKVASTKVTVSE
DVAAKKLQEFIGFKEKGLDGSVIR
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 chain7tja Chain E Residue 101 [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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PDB7tja Controllable Phycobilin Modification: An Alternative Photoacclimation Response in Cryptophyte Algae.
Resolution1.96 Å
Binding residue
(original residue number in PDB)
F14 C19 R21 P23 E25 D35 E36 M37 L38 K40
Binding residue
(residue number reindexed from 1)
F14 C19 R21 P23 E25 D35 E36 M37 L38 K40
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Cellular Component
External links
PDB RCSB:7tja, PDBe:7tja, PDBj:7tja
PDBsum7tja
PubMed35350600
UniProtA0A067YS87

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