Structure of PDB 5llx Chain B Binding Site BS02

Receptor Information
>5llx Chain B (length=654) Species: 1036674 (Idiomarina sp. A28L) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DDISKLIAACDQEPIHIPNAIQPFGAMLIVEKDTQQIVYASANSAEYFSV
ADNTIHELSDIKQANINSLLPEHLISGLASAIRENEPIWVETDRLSFLGW
RHENYYIIEVERYHVQTSNWFEIQFQRAFQKLRNCKTHNDLINTLTRLIQ
EISGYDRVMIYQFDPEWNGRVIAESVRQLFTSMLNHHFPASDIPAQARAM
YSINPIRIIPDVNAEPQPLHMIHKPQNTEAVNLSSGVLRAVSPLHMQYLR
NFGVSASTSIGIFNEDELWGIVACHHTKPRAIGRRIRRLLVRTVEFAAER
LWLIHSRNVERYMVTVQAAREQLSHSSHEIVIEHAADWCKLFRCDGIGYL
RGEELTTYGETPDQTTINKLVEWLSLFWHSHMLKEDAPGLLPDGSRFAGL
LAIPYLLLFRVAQNEVRTWAGKPEKLSVETSTGTMLGPRKSFEAWQDEVS
GKSQPWRTAQLYAARDIARDLLIVADSMQLNLLNDQLADANENLEKLASF
DDLTGIFNRRRMEDRLESEVKEAQRYKKQFGILLFDLDKFKSVNDTYGHN
IGDQILQNTCAAVSETLRDTDKFGRWGGEEFLIIAPQTGMPELMQLGERV
RAAVEKMQHKDLPAVTISIGVAEFQNDTRWDHMIDRADKAMYRAKENGRN
QVCS
Ligand information
Ligand IDGTP
InChIInChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyXKMLYUALXHKNFT-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
FormulaC10 H16 N5 O14 P3
NameGUANOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL1233147
DrugBankDB04137
ZINCZINC000060094177
PDB chain5llx Chain B Residue 703 [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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PDB5llx Long-range allosteric signaling in red light-regulated diguanylyl cyclases.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		L565 D566 K567 F568 K569 N572 D581 R603 G606 E607 K673 R677
Binding residue
(residue number reindexed from 1)		L537 D538 K539 F540 K541 N544 D553 R575 G578 E579 K645 R649
Annotation score4
Enzymatic activity
Enzyme Commision number 2.7.7.65: diguanylate cyclase.
Gene Ontology
Molecular Function
GO:0005525 GTP binding
GO:0009881 photoreceptor activity
GO:0046872 metal ion binding
GO:0052621 diguanylate cyclase activity
Biological Process
GO:0006355 regulation of DNA-templated transcription
GO:0009584 detection of visible light
GO:0043709 cell adhesion involved in single-species biofilm formation
GO:1902201 negative regulation of bacterial-type flagellum-dependent cell motility
Cellular Component
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5llx, PDBe:5llx, PDBj:5llx
PDBsum5llx
PubMed28275738
UniProtF7RW09

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