PDB Entry (2gg5) Download |
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Visualizer: MichelaNGLo |
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PDB ID: 2gg5 | Resolution: 2.12 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: 17120228 | DOI: 10.1002/prot.21207 | |
Protein |
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Protein Name: Methionine aminopeptidase | |
Protein Class: HYDROLASE | |
Uniprot ID/ACC: P0AE18 (MAP1_ECOLI) | Organism: Escherichia coli |
Gene Symbol: - | Gene ID: 49586016 |
Pocket Descriptors | |
Volume: 788.352 | Depth: 25.734 |
Hydrophobicity: 0.668103 | Drug Score: 0.298252 |
Pocket Similarity: Calculate |
Ligand |
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Ligand Name: 5-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-5H-PYRAZOL-3-YLAMINE | ||
HET ID: U19 | PubChem: 11840992 | |
DrugBank: DB08671 | ChEMBL: CHEMBL1236500 | |
Canonical SMILES: NC1=C(/N=N/c2ccccc2C(F)(F)F)C(=N)N=N1 | ||
Standard InChI: InChI=1S/C10H7F3N6/c11-10(12,13)5-3-1-2-4-6(5)16-17-7-8(14)18-19-9(7)15/h1-4,14H,15H2/b14-8?,17-16+ | ||
Molecular Formula: C10H7F3N6 | Mol. Weight: 268.198 | Heavy Atoms: 19 |
Charge: 0 | Is Chiral: False | logP: 3.0312 |
HBD: 2 | HBA: 6 | TPSA: 99.31 |
#Bonds: 20 | #Rotatable Bonds: 3 | Shape Complexity: 0.1 |
Stereocomplexity: 0.0 | Ligand Type: Small Molecule |
Binding Affinity |
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Database Name | Value |
PDBBind | IC50 : 250 nM |
BindingDB | IC50 : 250 nM |
Binding MOAD | IC50 : 250 nM |