PDB Entry (1pk2)

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Visualizer: MichelaNGLo 1pk2_ACA_91_A
PDB ID: 1pk2 Resolution: None Å Exp. Method: X-RAY DIFFRACTION
PMID: 1762144 DOI: 10.1016/0022-2836(91)90592-T
Protein
Protein Name: Tissue-type plasminogen activator
Protein Class: HYDROLASE
Uniprot ID/ACC: P00750 (TPA_HUMAN) Organism: Homo sapiens
Gene Symbol: PLAT Gene ID: 5327
Pocket Descriptors
Volume: 109.248 Depth: 9.08625
Hydrophobicity: 0.761905 Drug Score: 0.5
Pocket Similarity: Calculate
Ligand
Ligand Name:   6-AMINOHEXANOIC ACID
HET ID:   ACA PubChem:   517030564
DrugBank:   DB00513 ChEMBL:   CHEMBL1046
Canonical SMILES:   NCCCCCC(=O)O
Standard InChI:   InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)
Molecular Formula:   C6H13NO2 Mol. Weight:   131.17291 Heavy Atoms:   9
Charge:   0 Is Chiral:   False logP:   1.2904
HBD:   2 HBA:   3 TPSA:   63.32
#Bonds:   8 #Rotatable Bonds:   5 Shape Complexity:   0.8333333
Stereocomplexity:   0.0 Ligand Type:   Small Molecule
Binding Affinity
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