Structure of PDB 2c7j Chain B Binding Site BS01

Receptor Information
>2c7j Chain B (length=172) Species: 83541 (Mastigocladus laminosus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLDAFSRVVEQADKKGAYLSNDEINALQAIVADSNKRLDVVNRLTSNASS
IVANAYRALVAERPQVFNPGGPCFHHRNQAACIRDLGFILRYVTYSVLAG
DTSVMDDRCLNGLRETYQALGTPGDAVASGIKKMKEAALKIANDPNGITK
GDCSQLMSELASYFDRAAAAVA
Ligand information
Ligand IDCYC
InChIInChI=1S/C33H40N4O6/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/h13-15,19-20,35H,7-12H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,28-15-/t19-,20-/m1/s1
InChIKeyVXTXPYZGDQPMHK-GMXXPEQVSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC[C@@H]1[C@@H](C)C(=O)N\C1=C/c2[nH]c(\C=C3/N=C(\C=C4/NC(=O)C(=C4C)CC)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C
CACTVS 3.385CC[CH]1[CH](C)C(=O)NC1=Cc2[nH]c(C=C3N=C(C=C4NC(=O)C(=C4C)CC)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C
OpenEye OEToolkits 1.7.6CCC1C(C(=O)NC1=Cc2c(c(c([nH]2)C=C3C(=C(C(=N3)C=C4C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C
OpenEye OEToolkits 1.7.6CC[C@@H]\1[C@H](C(=O)N/C1=C\c2c(c(c([nH]2)/C=C\3/C(=C(C(=N3)/C=C\4/C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C
FormulaC33 H40 N4 O6
NamePHYCOCYANOBILIN
ChEMBL
DrugBank
ZINCZINC000058632644
PDB chain2c7j Chain B Residue 1173 [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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PDB2c7j Local Protein Flexibility as a Prerequisite for Reversible Chromophore Isomerization in Alfa- Phycoerythrocyanin
Resolution3.0 Å
Binding residue
(original residue number in PDB)		C73 R77 N78 C82 R84 D85 L86 F88 L113 L120 V127
Binding residue
(residue number reindexed from 1)		C73 R77 N78 C82 R84 D85 L86 F88 L113 L120 V127
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:2c7j, PDBe:2c7j, PDBj:2c7j
PDBsum2c7j
PubMed16377266
UniProtP00313|PHEB_MASLA Phycoerythrocyanin beta chain (Gene Name=pccB)

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