Structure of PDB 2c7l Chain A Binding Site BS01

Receptor Information
>2c7l Chain A (length=162) Species: 83541 (Mastigocladus laminosus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKTPLTEAIAAADLRGSYLSNTELQAVFGRFNRARAGLEAARAFANNGKK
WAEAAANHVYQKFPYTTQMQGPQYASTPEGKAKCVRDIDHYLRTISYCCV
VGGTGPLDDYVVAGLKEFNSALGLSPSWYIAALEFVRDNHGLTGDVAGEA
NTYINYAINALS
Ligand information
Ligand IDBLA
InChIInChI=1S/C33H34N4O6/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/h7-8,13-15,34H,1-2,9-12H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,29-15-
InChIKeyGWZYPXHJIZCRAJ-SRVCBVSDSA-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/4\C(=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)C=C4C(=C(C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O
CACTVS 3.341Cc1c([nH]c(C=C2N=C(C=C3NC(=O)C(=C3C=C)C)C(=C2CCC(O)=O)C)c1CCC(O)=O)C=C4NC(=O)C(=C4C)C=C
CACTVS 3.341Cc1c([nH]c(\C=C2/N=C(\C=C3/NC(=O)C(=C3C=C)C)C(=C2CCC(O)=O)C)c1CCC(O)=O)\C=C4/NC(=O)C(=C4C)C=C
FormulaC33 H34 N4 O6
NameBILIVERDINE IX ALPHA
ChEMBL
DrugBank
ZINCZINC000103534374
PDB chain2c7l Chain A Residue 1163 [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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PDB2c7l Local Protein Flexibility as a Prerequisite for Reversible Chromophore Isomerization in Alpha-Phycoerythrocyanin
Resolution2.85 Å
Binding residue
(original residue number in PDB)		A75 K83 C84 R86 D87 Y110 F118 L124 W128 Y129
Binding residue
(residue number reindexed from 1)		A75 K83 C84 R86 D87 Y110 F118 L124 W128 Y129
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Cellular Component
GO:0009579 thylakoid
GO:0016020 membrane
GO:0030089 phycobilisome
GO:0031676 plasma membrane-derived thylakoid membrane

View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2c7l, PDBe:2c7l, PDBj:2c7l
PDBsum2c7l
PubMed16377266
UniProtP00309|PHEA_MASLA Phycoerythrocyanin alpha chain (Gene Name=pccA)

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