Browse entries in the PDBbind-CN Database

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Related entries of code: 1toi
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1ahxRCSB PDB    PDBbind396aa, >1AHX_1|Chains... *
1ahyRCSB PDB    PDBbind396aa, >1AHY_1|Chains... at 100%
1czcRCSB PDB    PDBbind396aa, >1CZC_1|Chain... at 95%
1czeRCSB PDB    PDBbind396aa, >1CZE_1|Chain... at 95%
1togRCSB PDB    PDBbind396aa, >1TOG_1|Chains... at 97%
1tojRCSB PDB    PDBbind396aa, >1TOJ_1|Chain... at 97%
1tokRCSB PDB    PDBbind396aa, >1TOK_1|Chains... at 97%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1ahxRCSB PDB    PDBbindHCI
1togRCSB PDB    PDBbindHCI
1tojRCSB PDB    PDBbindHCI
5vfnRCSB PDB    PDBbindHCI
Entry Information
PDB ID1toi
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nameaspartate aminotransferase
Ligand NameHCI
EC.Number E.C.2.6.1.1
Resolution 1.9(Å)
Affinity (Kd/Ki/IC50)Kd=0.090mM
Release Year2004
Protein/NA SequenceCheck fasta file
Primary Reference Biochemistry v43 pp. 12780-7, 2004
Ligand Properties
Formula C9H10O2
Molecular Weight 150.174
Exact Mass 150.068
No. of atoms 21
No. of bonds 21
Polar Surface Area 37.3
LOGP Value 3.12      (Computed with XLOGP3)
1.70      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 1
Canonical SMILES
InChI String

Links to External Databases
RCSB PDBThe mother database
PDBsumEnhanced annotations on PDB entries
PubchemComprehensive collection of chemical and biological data
UniProtKB ACUniProt accession number (AC): P00509  
Entrez Gene IDNCBI Entrez Gene ID: 61754052  945553  
ASDInformation of known allosteric effects of PDB entries
 
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