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BioLiP

Structure of PDB 5uyr Chain A Binding Site BS01

Receptor Information
>5uyr Chain A (length=597) Species: 314565 (Xanthomonas campestris pv. campestris str. 8004) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VCAREPIHIPGLIQPYGVLLVIDPADGRIVQASTTAADLLGVPMAALLGM
PYTQVLTLPEAQPFAVDDQPQHLMHAEVRFPQRATPPASAWVAAWHLYPQ
QWLVEMEPRDARVTLREAMPLLRSVERDPGIAEAAVRVAKGLRSLIGFDR
VMIYRFDEEWNGDIIAEARKPELEAYLGLHYPASAIPAQARALYLRNRVR
QIADVGYQPSPIQPTVHPQLGTPVDLSDVSLRSVSPVHLEYLANMGVTAT
LVASIVVNDALWGLISCHHYSPHFTNHAMRDVTDAVARTLAGRIGALQAV
ARARLESVLLTVREKLITDFNDAEHMTVELLDDMAPDLMDVVDADGVAIF
HGNDISRHGTTPDVAALRRIRDHIESEHHEALREDAVGALHVDAIGEVFP
ELADLAPLAAGFIFVPLMPQSRSALLWTRREQIQQIKWAGNPRKSFDLWQ
QTVRGRARRWSPLHLESARSLRVLIELMERKRFQQDFTLLEASLSRLRDG
VAIIERGTANAAHRLLFVNTAFADVCGSDVAELIGRELQTSDAPRANVEL
LQDALRNGRAAYVTLPLQVSAPVYRQFHLEPLPSPSGVTAHWLLQLR
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 chain5uyr 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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PDB5uyr Pr-favoured variants of the bacteriophytochrome from the plant pathogen Xanthomonas campestris hint on light regulation of virulence-associated mechanisms.
Resolution3.45 Å
Binding residue
(original residue number in PDB)		C13 M166 I178 Y195 A199 P201 Y208 R214 R246 V248 S249 H252 Y255 T264 V266 S280 H282
Binding residue
(residue number reindexed from 1)		C2 M152 I164 Y181 A185 P187 Y194 R200 R232 V234 S235 H238 Y241 T250 V252 S266 H268
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0009881 photoreceptor activity
Biological Process
GO:0006355 regulation of DNA-templated transcription
GO:0009584 detection of visible light

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5uyr, PDBe:5uyr, PDBj:5uyr
PDBsum5uyr
PubMed33864705
UniProtA0A0H2XCS3|BPHY_XANC8 Bacteriophytochrome (Gene Name=bphP)

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