Structure of PDB 6pl0 Chain B Binding Site BS01

Receptor Information
>6pl0 Chain B (length=608) 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]
DVCAREPIHIPGLIQPYGVLLVIDPADGRIVQASTTAADLLGVPMAALLG
MPYTQVLTLPEAQPFAVDDQPQHLMHAEVRFPQRATPPASAWVAAWHLYP
QQWLVEMEPRDARLTLREAMPLLRSVERDPGIAEAAVRVAKGLRSLIGFD
RVMIYRFDEEWNGDIIAEARKPELEAYLGLHYPASDIPAQARALYLRNRV
RQIADVGYQPSPIQPTVHPQLGTPVDLSDVSLRSVSPVHLEYLANMGVTA
TLVASIVVNDALWGLISCHHYSPHFTNHAMRDVTDAVARTLAGRIGALQA
VARARLESVLLTVREKLITDFNDAEHMTVELLDDMAPDLMDVVDADGVAI
FHGNDISRHGTTPDVAALRRIRDHIESEHHEALREDAVGALHVDAIGEVF
PELADLAPLAAGFIFVPLMPQSRSALLWTRREQIQQIKWAGNPSPRKSFD
LWQQTVRGRARRWSPLHLESARSLRVLIELMERKRFQQDFTLLEASLSRL
RDGVAIIERGTANAAHRLLFVNTAFADVCGSDVAELIGRELQTLYASDAP
RANVELLQDALRNGRAAYVTLPLQVSDGAPVYRQFHLEPLPSPSGVTAHW
LLQLRDPE
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 chain6pl0 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

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PDB6pl0 Structural basis for the Pr-Pfr long-range signaling mechanism of a full-length bacterial phytochrome at the atomic level.
Resolution2.96 Å
Binding residue
(original residue number in PDB)		C13 M166 Y195 D199 I200 P201 Y208 R214 R246 S249 H252 Y255 V266 S280 H282
Binding residue
(residue number reindexed from 1)		C3 M153 Y182 D186 I187 P188 Y195 R201 R233 S236 H239 Y242 V253 S267 H269
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:6pl0, PDBe:6pl0, PDBj:6pl0
PDBsum6pl0
PubMed34818032
UniProtA0A0H2XCS3|BPHY_XANC8 Bacteriophytochrome (Gene Name=bphP)

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