PDB Entry (6nw4)

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Visualizer: MichelaNGLo

PDB ID: 6nw4 Resolution: 3.0 Å Exp. Method: X-RAY DIFFRACTION
PMID: 31282667 DOI: 10.1021/jacs.9b02731
Protein
Protein Name: Indole-3-glycerol phosphate synthase
Protein Class: LYASE
Uniprot ID/ACC: Q06121 (TRPC_SACS2) Organism: Saccharolobus solfataricus
Gene Symbol: - Gene ID: 44129825
Pocket Descriptors
Volume: 577.152 Depth: 18.5127
Hydrophobicity: 0.731034 Drug Score: 0.377027
Pocket Similarity: Calculate
Ligand
Ligand Name:   6-NITROBENZOTRIAZOLE
HET ID:   6NT PubChem:   61301
DrugBank:   - ChEMBL:   CHEMBL1414349
Canonical SMILES:   [O-][N+](=O)c1ccc2c(c1)[nH]nn2
Standard InChI:   InChI=1S/C6H4N4O2/c11-10(12)4-1-2-5-6(3-4)8-9-7-5/h1-3H,(H,7,8,9)
Molecular Formula:   C6H4N4O2 Mol. Weight:   164.12157 Heavy Atoms:   12
Charge:   0 Is Chiral:   False logP:   1.3893
HBD:   1 HBA:   2 TPSA:   87.39
#Bonds:   14 #Rotatable Bonds:   1 Shape Complexity:   0.0
Stereocomplexity:   0.0 Ligand Type:   Small Molecule
Binding Affinity
-