Structure of PDB 5akp Chain A Binding Site BS01

Receptor Information
>5akp Chain A (length=593) 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
VMIYRFDEEWNGDIIAEARKPELEAYLGLHYPASDIPAQARALYLRNRVR
QIADVGYQPSPIQPTVHPQLGTPVDLSDVSLRSVSPVHLEYLANMGVTAT
LVASIVVNDALWGLISCHHYSPHFTNHAMRDVTDAVARTLAGRIGALQAV
ARARLESVLLTVREKLITDFNDAEHMTVELLDDMAPDLMDVVDADGVAIF
HGNDISRHGTTPDVAALRRIRDHIESEHHEALREDAVGALHVDAIGEVFP
ELADLAPLAAGFIFVPLMPQSRSALLWTRREQIQQIKWAGNFDLWQQTVR
GRARRWSPLHLESARSLRVLIELMERKRFQQDFTLLEASLSRLRDGVAII
ERGTANAAHRLLFVNTAFADVCGSDVAELIGRELQTSDAPRANVELLQDA
LRNGRAAYVTLPLQVSAPVYRQFHLEPLPSPSGVTAHWLLQLR
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 chain5akp 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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PDB5akp Structure of the Full-Length Bacteriophytochrome from the Plant Pathogen Xanthomonas Campestris Provides Clues to its Long-Range Signaling Mechanism.
Resolution3.25 Å
Binding residue
(original residue number in PDB)		C13 M166 I178 Y195 D199 P201 Y208 R214 R246 V248 H252 Y255 T264 V266 S280 H282
Binding residue
(residue number reindexed from 1)		C2 M152 I164 Y181 D185 P187 Y194 R200 R232 V234 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:5akp, PDBe:5akp, PDBj:5akp
PDBsum5akp
PubMed27107635
UniProtA0A0H2XCS3|BPHY_XANC8 Bacteriophytochrome (Gene Name=bphP)

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