Browse entries in the PDBbind-CN Database

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Related entries of code: 4gki
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4fevRCSB PDB    PDBbind272aa, >4FEV_1|Chains... *
4fewRCSB PDB    PDBbind272aa, >4FEW_1|Chains... at 100%
4gkhRCSB PDB    PDBbind272aa, >4GKH_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4lghRCSB PDB    PDBbind0JN

Entry Information
PDB ID4gki
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameAminoglycoside 3'-phosphotransferase AphA1-IAB
Ligand Name0JN
EC.Number E.C.2.7.1.95
Resolution 1.88(Å)
Affinity (Kd/Ki/IC50)Ki=34.4uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Biochem.J. Vol. 454: pp. 191-200
Ligand Properties
Formula C20H21N5
Molecular Weight 331.414
Exact Mass 331.180
No. of atoms 46
No. of bonds 49
Polar Surface Area 69.62
LOGP Value 3.94      (Computed with XLOGP3)
4.49      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 4
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): B0VD92  
Entrez Gene IDNCBI Entrez Gene ID: 57334830  60604311  
ASDInformation of known allosteric effects of PDB entries

 
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