Structure of PDB 8avx Chain B Binding Site BS01

Receptor Information
>8avx Chain B (length=481) Species: 243230 (Deinococcus radiodurans R1 = ATCC 13939 = DSM 20539) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ENCEREPIHIPGSIQPHGALLTADGHSGEVLQMSLNAATFLGQEPTVLRG
QTLAALLPEQWPALQAALPPGCPDALQYRATLDWPAAGHLSLTVHRVGEL
LILEFEPTEHALRNAMFALESAPNLRALAEVATQTVRELTGFDRVMLYKF
APDATGEVIAEARREGLHAFLGHRFPASDIPAQARALYTRHLLRLTADTR
AAAVPLDPVLNPQTNAPTPLGGAVLRATSPMHMQYLRNMGVGSSLSVSVV
VGGQLWGLIACHHQTPYVLPPDLRTTLEYLGRLLSLQVQVKEAADVAAFR
QSLREHHARVALAAAHSLSPHDTLSDPALDLLGLMRAGGLILRFEGRWQT
LGEVPPAPAVDALLAWLETQPGALVQTDALGQLWPAGADLAPSAAGLLAI
SVGEGWSECLVWLRPELRLEVAWGPRHSFDTYLEEKRGYAEPWHPGEIEE
AQDLRDTLTGALGERLSVIRDLNRALTQSNA
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 chain8avx Chain B Residue 1000 [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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PDB8avx Structural mechanism of signal transduction in a phytochrome histidine kinase.
Resolution3.5 Å
Binding residue
(original residue number in PDB)		C24 H201 D207 I208 Y216 R222 R254 H260 Y263 M267
Binding residue
(residue number reindexed from 1)		C3 H173 D179 I180 Y188 R194 R226 H232 Y235 M239
Annotation score4
Enzymatic activity
Enzyme Commision number 2.7.13.3: histidine kinase.
Gene Ontology
Molecular Function
GO:0000155 phosphorelay sensor kinase activity
GO:0000156 phosphorelay response regulator activity
GO:0004673 protein histidine kinase activity
GO:0005524 ATP binding
GO:0009881 photoreceptor activity
GO:0016301 kinase activity
GO:0016772 transferase activity, transferring phosphorus-containing groups
GO:0030295 protein kinase activator activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:0000160 phosphorelay signal transduction system
GO:0006355 regulation of DNA-templated transcription
GO:0007165 signal transduction
GO:0007234 osmosensory signaling via phosphorelay pathway
GO:0009584 detection of visible light
GO:0016310 phosphorylation
GO:0018106 peptidyl-histidine phosphorylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8avx, PDBe:8avx, PDBj:8avx
PDBsum8avx
PubMed36509762
UniProtQ9RZA4|BPHY_DEIRA Bacteriophytochrome (Gene Name=bphP);
Q9RZA5

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