Structure of PDB 4r70 Chain A Binding Site BS01

Receptor Information
>4r70 Chain A (length=498) Species: 258594 (Rhodopseudomonas palustris CGA009) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LTECDREPIHIPGAIQPHGYLFVVSETDLRIASVSANVEDLLRQPPASLL
NVPIAHYLTAASAARLTHALHGGDPAAINPIRLDVVTPDGERAFNGILHR
HDSIVILELEPRDESRYTNEFFRSVRVAIRRLQTAADLPTACWIAASEVR
RITGFDRIKVYQFAADWSGQVIAEDRDSGIPSLLDFHFPSSDIPAQSRAL
YTINPVRIIPDIGYRPSPLVPDINPRLGGPIDLSFSVLRSVSPTHLEYMV
NMGMHAAMSISIVRDNRLWGMISCHNLTPRFVSYEVRQACELIAQVLTWQ
IGVLEEAEIVRHSVRMRAIQNRLLHELGDEQGLTAGLSRVSEEMLALMGA
SGFALCSFDGVAAFGRTPSDDEIQALASWLSHRESRGIFQTQQLSASFPE
AEVYSDIASGLLAVPLGRASTTLMLWFRPEVAQTVTWGGDPHKPVQIGPR
GRRLQTRASFEAWREEVRDRSRPWRSHEIVAAEEIRDLVVDVILGRAL
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 chain4r70 Chain A Residue 900 [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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PDB4r70 Light Signaling Mechanism of Two Tandem Bacteriophytochromes.
Resolution2.85 Å
Binding residue
(original residue number in PDB)		C28 I33 F212 S215 D216 I217 P218 S221 Y225 R263 V265 S266 T268 H269 Y272 A281 S283 S297 H299
Binding residue
(residue number reindexed from 1)		C4 I9 F188 S191 D192 I193 P194 S197 Y201 R239 V241 S242 T244 H245 Y248 A257 S259 S273 H275
Annotation score4
Enzymatic activity
Enzyme Commision number 2.7.13.3: histidine kinase.
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:4r70, PDBe:4r70, PDBj:4r70
PDBsum4r70
PubMed26095026
UniProtQ6N5G2

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