Structure of PDB 4h54 Chain A Binding Site BS01

Receptor Information
>4h54 Chain A (length=274) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TTEIDAILLNLNKAIDAHYQWLVSMFHSVVAFGRWIDHLGPLDNDELPYV
RLMDSAHQHMHNCGRELMLAIVENHWQDAHFDAFQEGLLSFTAALTDYKI
YLLTIRSNMDVLTGLPGRRVLDESFDHQLRNAEPLNLYLMLLDIDRFKLV
NDTYGHLIGDVVLRTLATYLASWTRDYETVYRYGGEEFIIIVKAANDEEA
CRAGVRICQLVDNHAITHSEGHINITVTAGVSRAFPEEPLDVVIGRADRA
MYEGKQTGRNRCMFIDEQNVINRV
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain4h54 Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4h54 Structure and signaling mechanism of a zinc-sensory diguanylate cyclase.
Resolution3.9 Å
Binding residue
(original residue number in PDB)		H22 H79 H83
Binding residue
(residue number reindexed from 1)		H18 H57 H61
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.65: diguanylate cyclase.
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0005525 GTP binding
GO:0008270 zinc ion binding
GO:0016740 transferase activity
GO:0042802 identical protein binding
GO:0042803 protein homodimerization activity
GO:0046872 metal ion binding
GO:0052621 diguanylate cyclase activity
Biological Process
GO:0043709 cell adhesion involved in single-species biofilm formation
GO:1900233 positive regulation of single-species biofilm formation on inanimate substrate
GO:1902201 negative regulation of bacterial-type flagellum-dependent cell motility
GO:1902209 negative regulation of bacterial-type flagellum assembly
Cellular Component
GO:0005886 plasma membrane
GO:0060187 cell pole

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4h54, PDBe:4h54, PDBj:4h54
PDBsum4h54
PubMed23769666
UniProtP31129|DGCZ_ECOLI Diguanylate cyclase DgcZ (Gene Name=dgcZ)

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