Structure of PDB 4bwi Chain A Binding Site BS02

Receptor Information
>4bwi Chain A (length=381) Species: 1143 (Synechocystis sp.) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NRSLEDFLRNVINKFHRALTLRETLQVIVEEARIFLGVDRVKIYKFASDG
SGEVLAEAVNRAALPSLLGLHFPVEDIPPQAREELGNQRKMIAVDVAHRR
KKSHELSGRISGHYTTVDSCHIQYLLAMGVLSSLTVPVMQDQQLWGIMAV
HHSKPRRFTEQEWETMALLSKEVSLAITQSQLSRQVHQQQVQEALVQRLE
TTVAQYGDRPETWQYALETVGQAVEADGAVLYIAPDLTGSVAQHYQWNLR
FDWGNWLETSLWQELMRGQPSANCVPHGYTLGELEQRSDWIAPPESLSAE
NFQSFLIVPLAADQQWVGSLILLRKEKSLVKHWAGKRGNILPRLSFEAWE
ETQKLVPTWNRSERKLAQVASTQLYMAITQQ
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 chain4bwi Chain A Residue 1422 [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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PDB4bwi Structure of the Cyanobacterial Phytochrome 2 Photosensor Implies a Tryptophan Switch for Phytochrome Signaling.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		Y47 F75 D79 I80 P81 K104 V126 D127 C129 H130 Y133 T144 H160 I380
Binding residue
(residue number reindexed from 1)		Y44 F72 D76 I77 P78 K101 V117 D118 C120 H121 Y124 T135 H151 I340
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0006355 regulation of DNA-templated transcription
GO:0009584 detection of visible light

View graph for
Biological Process
External links
PDB RCSB:4bwi, PDBe:4bwi, PDBj:4bwi
PDBsum4bwi
PubMed24174528
UniProtQ55434|PHY2_SYNY3 Phytochrome-like protein cph2 (Gene Name=cph2)

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