Structure of PDB 7l5a Chain A Binding Site BS01

Receptor Information
>7l5a Chain A (length=477) 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]
DLDVCAREPIHIPGLIQPYGVLLVIDPADGRIVQASTTAADLLGVPMAAL
LGMPYTQVLTLPEAQPFAVDDQPQHLMHAEVRFPQRATPPASAWVAAWHL
YPQQWLVEMEPRDARLLDVTLREAMPLLRSVERDPGIAEAAVRVAKGLRS
LIGFDRVMIYRFDEEWNGDIIAEARKPELEAYLGLHYPASDIPAQARALY
LRNRVRQIADVGYQPSPIQPTVHPQLGTPVDLSDVSLRSVSPVHLEYLAN
MGVTATLVASIVVNDALWGLISCHHYSPHFTNHAMRDVTDAVARTLAGRI
GALQAVARARLESVLLTVREKLITTVELLDDMAPDLMDVVDADGVAIFHG
NDISRHGTTPDVAALRRIRDHIGALHVDAIGEVFPELADLAPLAAGFIFV
PLMPQSRSALLWTRREQIQQIKWAGNPQLAKLEDIPNSRLSPRKSFDLWQ
QTVRGRARRWSPLHLESARSLRVLIEL
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 chain7l5a 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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PDB7l5a Structural basis for the Pr-Pfr long-range signaling mechanism of a full-length bacterial phytochrome at the atomic level.
Resolution2.95 Å
Binding residue
(original residue number in PDB)		C13 Y168 Y195 S198 D199 I200 P201 A204 Y208 R214 H252 Y255 V266 S280 H282 P471
Binding residue
(residue number reindexed from 1)		C5 Y160 Y187 S190 D191 I192 P193 A196 Y200 R206 H244 Y247 V258 S272 H274 P442
Annotation score4
Enzymatic activity
Enzyme Commision number ?
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:7l5a, PDBe:7l5a, PDBj:7l5a
PDBsum7l5a
PubMed34818032
UniProtA0A0H2XCS3|BPHY_XANC8 Bacteriophytochrome (Gene Name=bphP)

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