PDB Entry (1ktg) Download |
||
Visualizer: MichelaNGLo |
||
PDB ID: 1ktg | Resolution: 1.8 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: 11937063 | DOI: 10.1016/S0969-2126(02)00746-3 | |
Protein |
|
Protein Name: Bis(5'-nucleosyl)-tetraphosphatase [asymmetrical] | |
Protein Class: HYDROLASE | |
Uniprot ID/ACC: Q9U2M7 (AP4A_CAEEL) | Organism: Caenorhabditis elegans |
Gene Symbol: - | Gene ID: 189639 |
Pocket Descriptors | |
Volume: 257.152 | Depth: 10.8148 |
Hydrophobicity: 0.617647 | Drug Score: 0.140606 |
Pocket Similarity: Calculate |
Ligand |
||
Ligand Name: ADENOSINE MONOPHOSPHATE | ||
HET ID: AMP | PubChem: 6083 | |
DrugBank: DB00131 | ChEMBL: CHEMBL752 | |
Canonical SMILES: O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1ncnc2N)COP(=O)(O)O | ||
Standard InChI: InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | ||
Molecular Formula: C10H14N5O7P | Mol. Weight: 347.22122 | Heavy Atoms: 23 |
Charge: 0 | Is Chiral: True | logP: -1.2818 |
HBD: 5 | HBA: 12 | TPSA: 195.88 |
#Bonds: 29 | #Rotatable Bonds: 4 | Shape Complexity: 0.5 |
Stereocomplexity: 0.4 | Ligand Type: Small Molecule |
Binding Affinity |
||
- |