Structure of PDB 5i5l Chain A Binding Site BS01

Receptor Information
>5i5l Chain A (length=480) Species: 176299 (Agrobacterium fabrum str. C58) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SCGAEPIHIPGAIQEHGALLVLSAREFSVVQASDNLANYIGVDLPIGAVA
TEANLPFISVLSAWYSGEESNFRYAWAEKKLDVSAHRSGTLVILEVEKAG
VGESAEKLMGELTSLAKYLNSAPSLEDALFRTAQLVSSISGHDRTLIYDF
GLDWSGHVVAEAGSGALPSYLGLRFPAGDIPPQARQLYTINRLRMIPDVD
YKPVPIRPEVNAETGAVLDMSFSQLRSVSPVHLEYMRNMGTAASMSVSIV
VNGALWGLIACHHATPHSVSLAVREACDFAAQLLSMRIAMEQSSQDASRR
VELGHIQARLLKGMAAAEKWVDGLLGGEGEREDLLKQVGADGAALVLGDD
YELVGNTPSREQVEELILWLGEREIADVFATDNLAGNYPTAAAYASVASG
IIAMRVSEGSWLIWFRPEVIKTVRWGGDPHKTVQERIHPRKSFEIWKEQL
RNTSFPWSEPELAAARELRGAIIGIVLRKT
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 chain5i5l Chain A Residue 601 [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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PDB5i5l The Crystal Structures of the N-terminal Photosensory Core Module of Agrobacterium Phytochrome Agp1 as Parallel and Anti-parallel Dimers.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		C20 F193 G196 D197 I198 P199 Y206 R244 V246 S247 V249 H250 Y253 S262 S264 H280
Binding residue
(residue number reindexed from 1)		C2 F175 G178 D179 I180 P181 Y188 R226 V228 S229 V231 H232 Y235 S244 S246 H262
Annotation score4
Enzymatic activity
Enzyme Commision number 2.7.13.3: histidine kinase.
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:5i5l, PDBe:5i5l, PDBj:5i5l
PDBsum5i5l
PubMed27466363
UniProtQ7CY45

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