Structure of PDB 4lmx Chain E Binding Site BS02

Receptor Information
>4lmx Chain E (length=66) Species: 464988 (Hemiselmis andersenii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AMKKDSKAPCVEVFDERDGCKAAGTQKASGDDGFCVKVSMKAIKMNAAEA
TSVTKNYNTKLLGAKS
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 chain4lmx Chain F 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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PDB4lmx Single-residue insertion switches the quaternary structure and exciton states of cryptophyte light-harvesting proteins.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		Y57 N58 K60 L61 A64 K65 S66
Binding residue
(residue number reindexed from 1)		Y57 N58 K60 L61 A64 K65 S66
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Cellular Component
External links
PDB RCSB:4lmx, PDBe:4lmx, PDBj:4lmx
PDBsum4lmx
PubMed24979784
UniProtU5TBJ3|PHEA2_HEMAN Phycoerythrin alpha-2 subunit (Gene Name=HAND1043_LOCUS7931)

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