PDB Entry (2q6u)

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Visualizer: MichelaNGLo

PDB ID: 2q6u Resolution: 1.75 Å Exp. Method: X-RAY DIFFRACTION
PMID: 17697998 DOI: 10.1016/j.str.2007.06.010
Protein
Protein Name: NikD protein
Protein Class: CELL CYCLE
Uniprot ID/ACC: Q9X9P9 (Q9X9P9_STRTE) Organism: Streptomyces tendae
Gene Symbol: - Gene ID: -
Pocket Descriptors
Volume: 2014.08 Depth: 34.6272
Hydrophobicity: 0.689815 Drug Score: 0.999507
Pocket Similarity: Calculate
Ligand
Ligand Name:   BENZOIC ACID
HET ID:   BEZ PubChem:   20144841243
DrugBank:   DB03793 ChEMBL:   CHEMBL541
Canonical SMILES:   OC(=O)c1ccccc1
Standard InChI:   InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
Molecular Formula:   C7H6O2 Mol. Weight:   122.12134 Heavy Atoms:   9
Charge:   0 Is Chiral:   False logP:   1.3848
HBD:   1 HBA:   2 TPSA:   37.3
#Bonds:   9 #Rotatable Bonds:   1 Shape Complexity:   0.0
Stereocomplexity:   0.0 Ligand Type:   Small Molecule
Binding Affinity
-