PDB Entry (3hx8) Download |
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Visualizer: MichelaNGLo |
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PDB ID: 3hx8 | Resolution: 1.45 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: - | DOI: None | |
Protein |
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Protein Name: Mlr2180 protein | |
Protein Class: ISOMERASE | |
Uniprot ID/ACC: Q98IZ3 (Q98IZ3_RHILO) | Organism: Mesorhizobium japonicum |
Gene Symbol: - | Gene ID: - |
Pocket Descriptors | |
Volume: 529.472 | Depth: 25.9597 |
Hydrophobicity: 0.783333 | Drug Score: 0.245483 |
Pocket Similarity: Calculate |
Ligand |
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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 |
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