Structure of PDB 3c2w Chain E Binding Site BS01

Receptor Information
>3c2w Chain E (length=471) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TPVTLANCEDEPIHVPGAIQPHGALVTLRADGMVLAASENIQALLGFVAS
PGSYLTQEQVGPEVLRMLEEGLTGNGPWSNSVETRIGEHLFDVIGHSYKE
VFYLEFEIRTALSITSFTLNAQRIIAQVQLHNDTASLLSNVTDELRRMTG
YDRVMAYRFRHDDSGEVVAESRREDLESYLGQRYPASDIPAQARRLYIQN
PIRLIADVAYTPMRVFPALNPETNESFDLSYSVLRSVSPIHCEYLTNMGV
RASMSISIVVGGKLWGLFSCHHMSPKLIPYPVRMSFQIFSQVCSAIVERL
EQGRIAELLRVSTERRLALARRARDADDLFGALAHPDDGIAALIPCDGAL
VMLGGRTLSIRGDFERQAGNVLQRLQRDPERDIYHTDNWCCGVLAIRFHR
QESGWIFWFRHEEVHRIRWGGTIGPSGPRLTPRGSFEAWEEVVRGHSTPW
SETDLAIAEKLRLDLMELCLN
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 chain3c2w Chain E 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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PDB3c2w Crystal structure of Pseudomonas aeruginosa bacteriophytochrome: photoconversion and signal transduction.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		C12 Y163 Y185 Y190 D194 P196 Y203 R209 H247 Y250 S275
Binding residue
(residue number reindexed from 1)		C8 Y157 Y179 Y184 D188 P190 Y197 R203 H241 Y244 S269
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:3c2w, PDBe:3c2w, PDBj:3c2w
PDBsum3c2w
PubMed18799746
UniProtQ9HWR3|BPHY_PSEAE Bacteriophytochrome (Gene Name=bphP)

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