Structure of PDB 4lm6 Chain D Binding Site BS01

Receptor Information
>4lm6 Chain D (length=175) Species: 77927 (Hemiselmis virescens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DAFSKVITSADGKAAYVGGADLQALKKFVSDGNKRMDAVNAIVSNASCIV
SDAVSGMVCENPALIAPNGGVYSNRKMAACLRDAEIILRYVSYSLLSGDS
SVLEDRCLNGLKETYASLGVPAAGNARAVAIMKATVNGFINNTAQQKKLS
TPAGDCSALASEAGGYFDKVSSALA
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 chain4lm6 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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PDB4lm6 Single-residue insertion switches the quaternary structure and exciton states of cryptophyte light-harvesting proteins.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		C50 D54 S57 G58 C61 R129 I133 A136 T137 F141 A146 Q148 K149
Binding residue
(residue number reindexed from 1)		C48 D52 S55 G56 C59 R127 I131 A134 T135 F139 A144 Q146 K147
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Cellular Component
GO:0009507 chloroplast
GO:0009535 chloroplast thylakoid membrane
GO:0009579 thylakoid
GO:0016020 membrane
GO:0030089 phycobilisome

View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4lm6, PDBe:4lm6, PDBj:4lm6
PDBsum4lm6
PubMed24979784
UniProtA0A075B5G2|PHEB_HEMVI Phycoerythrin beta subunit (Gene Name=cpeB)

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