Structure of PDB 4r6l Chain B Binding Site BS01

Receptor Information
>4r6l Chain B (length=448) Species: 258594 (Rhodopseudomonas palustris CGA009) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TCDDEPIHIPGAIQPHGLLLALAADMTIVAGSDNLPELTIGRSAADVFDS
ETHNRLTIALAEPPIAVFVGSWHRHDQLVFLELEPPFFRRTNSAIRRLQA
AETLESACAAAAQEVREITGFDRVMIYRFASDFSGEVIAEDRCAEVESYL
GLHFPASDIPAQARRLYTINPVRIIPDINYRPVPVTPDLNPVTGRPIDLS
FAILRSVSPVHLEYMRNIGMHGTMSISILRGERLWGLIACHHRKPNYVDL
DGRQACELVAQVLAWQIGVMEEQAITRQTLKGQAIQRSLINDIEQLHDHR
AGLARNSEALLELMGASGLCLHSREGVITIGQTPPGPIIDQLAQLAGRSG
GSELFQTDRLSTIIPEAGAFAEVASGVLAVPLSRTPPRRVMLWFRPEVAQ
TVYWAGNPDKSRTSFAAWTEQTHGRAIAWQPHEVAAAVEIRDLIIDVI
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 chain4r6l Chain B Residue 900 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4r6l Light Signaling Mechanism of Two Tandem Bacteriophytochromes.
Resolution3.395 Å
Binding residue
(original residue number in PDB)		C15 M169 F198 S201 D202 I203 P204 Y211 R217 R249 V251 S252 V254 H255 Y258 T267 S269 H285 R466
Binding residue
(residue number reindexed from 1)		C2 M125 F154 S157 D158 I159 P160 Y167 R173 R205 V207 S208 V210 H211 Y214 T223 S225 H241 R412
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:4r6l, PDBe:4r6l, PDBj:4r6l
PDBsum4r6l
PubMed26095026
UniProtQ6N5G3

[Back to BioLiP]