Structure of PDB 2v0n Chain B Binding Site BS06

Receptor Information
>2v0n Chain B (length=454) Species: 190650 (Caulobacter vibrioides CB15) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SARILVVDDIEANVRLLEAKLTAEYYEVSTAMDGPTALAMAARDLPDIIL
LDVMMPGMDGFTVCRKLKDDPTTRHIPVVLITALDGRGDRIQGLESGASD
FLTKPIDDVMLFARVRSLTRFKLVIDELRQREASGRRMGVIAGAAARLDG
LGGRVLIVDDNERQAQRVAAELGVEHRPVIESDPEKAKISAGGPVDLVIV
NAAAKNFDGLRFTAALRSEERTRQLPVLAMVDPDDRGRMVKALEIGVNDI
LSRPIDPQELSARVKTQIQRKRYTDYLRNNLDHSLELAVTDQLTGLHNRR
YMTGQLDSLVKRATLGGDPVSALLIDIDFFKKINDTFGHDIGDEVLREFA
LRLASNVRAIDLPCRYGGEEFVVIMPDTALADALRIAERIRMHVSGSPFT
VAHGREMLNVTISIGVSATAGEGDTPEALLKRADEGVYQAKASGRNAVVG
KAAH
Ligand information
Ligand IDGAV
InChIInChI=1S/C10H16N5O13P3S/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(26-9)1-25-31(24,32)28-30(22,23)27-29(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,32)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-,31-/m1/s1
InChIKeyYRUWXBKVSXSSGS-KIOICMOXSA-N
SMILES
SoftwareSMILES
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](S)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@](S)(=O)O[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OP(=O)(S)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc2c(n1C3C(C(C(O3)COP(=O)(OP(=O)(O)OP(=O)(O)O)S)O)O)N=C(NC2=O)N
OpenEye OEToolkits 1.7.6c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O[P@@](=O)(O)OP(=O)(O)O)S)O)O)N=C(NC2=O)N
FormulaC10 H16 N5 O13 P3 S
NameGUANOSINE-5'-RP-ALPHA-THIO-TRIPHOSPHATE
ChEMBL
DrugBank
ZINC
PDB chain2v0n Chain B Residue 600 [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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PDB2v0n Structure of Bef3--Modified Response Regulator Pled: Implications for Diguanylate Cyclase Activation, Catalysis, and Feedback Inhibition
Resolution2.71 Å
Binding residue
(original residue number in PDB)		I328 F330 F331 K332 N335 H340 D344 L347 G369 E370 K442 R446
Binding residue
(residue number reindexed from 1)		I327 F329 F330 K331 N334 H339 D343 L346 G368 E369 K441 R445
Annotation score3
Enzymatic activity
Enzyme Commision number 2.7.7.65: diguanylate cyclase.
Gene Ontology
Molecular Function
GO:0005525 GTP binding
GO:0016740 transferase activity
GO:0046872 metal ion binding
GO:0052621 diguanylate cyclase activity
Biological Process
GO:0000160 phosphorelay signal transduction system
GO:0030154 cell differentiation
GO:0043709 cell adhesion involved in single-species biofilm formation
GO:1902201 negative regulation of bacterial-type flagellum-dependent cell motility
Cellular Component
GO:0005737 cytoplasm
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:2v0n, PDBe:2v0n, PDBj:2v0n
PDBsum2v0n
PubMed17697997
UniProtB8GZM2|PLED_CAUVN Response regulator PleD (Gene Name=pleD)

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