Structure of PDB 4lms Chain A Binding Site BS01

Receptor Information
>4lms Chain A (length=80) Species: 3029 (Chroomonas sp.) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RDAQLRAPIVEIFDARGCDAKNAQYTGPKSNDMNDDQCVKVSMQKITVSE
ATAAKKLQEFIGGKATAINVPIISSMTKKY
Ligand information
Ligand IDM1V
InChIInChI=1S/C33H38N4O6/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/h13-15,35H,7-12H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,28-15-
InChIKeyCXQHEXWJGZEPFP-BBROENKCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCC1=C(/C(=C/C2=N/C(=C\c3c(c(c([nH]3)/C=C\4/C(=C(C(=O)N4)C)CC)C)CCC(=O)O)/C(=C2C)CCC(=O)O)/NC1=O)C
CACTVS 3.385CCC1=C(C)\C(NC1=O)=C\C2=NC(=C\c3[nH]c(\C=C4/NC(=O)C(=C4CC)C)c(C)c3CCC(O)=O)/C(=C2C)CCC(O)=O
OpenEye OEToolkits 1.7.6CCC1=C(C(=CC2=NC(=Cc3c(c(c([nH]3)C=C4C(=C(C(=O)N4)C)CC)C)CCC(=O)O)C(=C2C)CCC(=O)O)NC1=O)C
CACTVS 3.385CCC1=C(C)C(NC1=O)=CC2=NC(=Cc3[nH]c(C=C4NC(=O)C(=C4CC)C)c(C)c3CCC(O)=O)C(=C2C)CCC(O)=O
FormulaC33 H38 N4 O6
Namemesobiliverdin IX(alpha)
ChEMBL
DrugBank
ZINCZINC000086036419
PDB chain4lms Chain A 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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PDB4lms Single-residue insertion switches the quaternary structure and exciton states of cryptophyte light-harvesting proteins.
Resolution1.35 Å
Binding residue
(original residue number in PDB)		F13 C18 A20 N22 A23 Q24 Y25 D36 Q37 C38 K40
Binding residue
(residue number reindexed from 1)		F13 C18 A20 N22 A23 Q24 Y25 D36 Q37 C38 K40
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Cellular Component
External links
PDB RCSB:4lms, PDBe:4lms, PDBj:4lms
PDBsum4lms
PubMed24979784
UniProtU5T880|PHEA1_CHRS2 Phycocyanin PC645 alpha-1 subunit

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