PDB Entry (6iau)

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Visualizer: MichelaNGLo

PDB ID: 6iau Resolution: 1.97 Å Exp. Method: X-RAY DIFFRACTION
PMID: - DOI: 10.1038/s41929-019-0249-z
Protein
Protein Name: amine dehydrogenases
Protein Class: OXIDOREDUCTASE
Uniprot ID/ACC: S9Q235 (S9Q235_9DELT) Organism: Cystobacter fuscus
Gene Symbol: - Gene ID: -
Pocket Descriptors
Volume: 548.672 Depth: 30.2315
Hydrophobicity: 0.710145 Drug Score: 0.224808
Pocket Similarity: Calculate
Ligand
Ligand Name:   CYCLOHEXYLAMMONIUM ION
HET ID:   HAI PubChem:   1549093, 70192317
DrugBank:   DB02995 ChEMBL:   CHEMBL1233227
Canonical SMILES:   [NH3+]C1CCCCC1
Standard InChI:   InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2/p+1
Molecular Formula:   C6H14N+ Mol. Weight:   100.18206 Heavy Atoms:   7
Charge:   1 Is Chiral:   False logP:   0.561
HBD:   1 HBA:   0 TPSA:   27.64
#Bonds:   10 #Rotatable Bonds:   0 Shape Complexity:   1.0
Stereocomplexity:   0.0 Ligand Type:   Small Molecule
Binding Affinity
-