Structure of PDB 7tja Chain Q Binding Site BS02
Receptor Information
>7tja Chain Q (length=61) Species:
77928
(Proteomonas sulcata) [
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SAKAPVITIFDHRGCSRAPKEYTGSKASGQDDEMMVKAQSVKIAVSDGVA
ESVLKDSLSVM
Ligand information
Ligand ID
DBV
InChI
InChI=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
InChIKey
ZQHDSLZHMAUUQK-ZTYGKHTCSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
Cc1c(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 1.5.0
Cc1c(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 3.341
CC1=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 3.341
CC1=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
Formula
C33 H36 N4 O6
Name
15,16-DIHYDROBILIVERDIN
ChEMBL
DrugBank
ZINC
ZINC000056871439
PDB chain
7tja Chain Q Residue 101 [
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Receptor-Ligand Complex Structure
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PDB
7tja
Controllable Phycobilin Modification: An Alternative Photoacclimation Response in Cryptophyte Algae.
Resolution
1.96 Å
Binding residue
(original residue number in PDB)
F14 C19 R21 P23 E25 Y26 D36 E37 M38 M39 K41
Binding residue
(residue number reindexed from 1)
F10 C15 R17 P19 E21 Y22 D32 E33 M34 M35 K37
Annotation score
1
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Cellular Component
GO:0030089
phycobilisome
View graph for
Cellular Component
External links
PDB
RCSB:7tja
,
PDBe:7tja
,
PDBj:7tja
PDBsum
7tja
PubMed
35350600
UniProt
A0A067YRY3
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