PDB Entry (4mgr)

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Visualizer: MichelaNGLo

PDB ID: 4mgr Resolution: 2.55 Å Exp. Method: X-RAY DIFFRACTION
PMID: 24127574 DOI: 10.1073/pnas.1315887110
Protein
Protein Name: HTH-type transcriptional regulatory protein GabR
Protein Class: TRANSCRIPTION REGULATOR
Uniprot ID/ACC: P94426 (GABR_BACSU) Organism: Bacillus subtilis
Gene Symbol: - Gene ID: 938271
Pocket Descriptors
Volume: 372.032 Depth: 32.4731
Hydrophobicity: 0.675991 Drug Score: 0.0182316
Pocket Similarity: Calculate
Ligand
Ligand Name:   IMIDAZOLE
HET ID:   IMD PubChem:   21983501, 4434133, 444234
DrugBank:   - ChEMBL:   CHEMBL1233595
Canonical SMILES:   c1[nH]cc[nH+]1
Standard InChI:   InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)/p+1
Molecular Formula:   C3H5N2+ Mol. Weight:   69.0852 Heavy Atoms:   5
Charge:   1 Is Chiral:   False logP:   -0.1712
HBD:   2 HBA:   0 TPSA:   29.93
#Bonds:   7 #Rotatable Bonds:   0 Shape Complexity:   0.0
Stereocomplexity:   0.0 Ligand Type:   Small Molecule
Binding Affinity
-