Structure of PDB 1w25 Chain B Binding Site BS01

Receptor Information
>1w25 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 IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain1w25 Chain B Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1w25 Structural Basis of Activity and Allosteric Control of Diguanylate Cyclase
Resolution2.7 Å
Binding residue
(original residue number in PDB)		D9 D10 D53 M55
Binding residue
(residue number reindexed from 1)		D8 D9 D52 M54
Annotation score1
Binding affinityManual survey: Ki=0.5uM (15569936)
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:1w25, PDBe:1w25, PDBj:1w25
PDBsum1w25
PubMed15569936
UniProtB8GZM2|PLED_CAUVN Response regulator PleD (Gene Name=pleD)

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