Browse entries in the PDBbind-CN Database

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Related entries of code: 2j9h
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
10gsRCSB PDB    PDBbind209aa, >10GS_1|Chains... at 100%
11gsRCSB PDB    PDBbind210aa, >11GS_1|Chains... *
13gsRCSB PDB    PDBbind210aa, >13GS_1|Chains... at 100%
1lbkRCSB PDB    PDBbind208aa, >1LBK_1|Chains... at 97%
2gssRCSB PDB    PDBbind209aa, >2GSS_1|Chains... at 100%
3dgqRCSB PDB    PDBbind210aa, >3DGQ_1|Chains... at 100%
3gssRCSB PDB    PDBbind209aa, >3GSS_1|Chains... at 100%
3gusRCSB PDB    PDBbind209aa, >3GUS_1|Chains... at 100%
3hjoRCSB PDB    PDBbind209aa, >3HJO_1|Chains... at 99%
3ie3RCSB PDB    PDBbind209aa, >3IE3_1|Chains... at 99%
5j41RCSB PDB    PDBbind209aa, >5J41_1|Chains... at 100%
5x79RCSB PDB    PDBbind210aa, >5X79_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1ydkRCSB PDB    PDBbindGTX
2c80RCSB PDB    PDBbindGTX
5kejRCSB PDB    PDBbindGTX
Entry Information
PDB ID2j9h
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCys-free mutant protein
Ligand NameGTX
EC.Number E.C.2.5.1.18
Resolution 2.4(Å)
Affinity (Kd/Ki/IC50)Ki=410uM
Release Year2006
Protein/NA SequenceCheck fasta file
Primary Reference (2008) J.Mol.Biol. Vol. 3 76: pp. 811
Ligand Properties
Formula C16H30N3O6S
Molecular Weight 392.491
Exact Mass 392.186
No. of atoms 56
No. of bonds 55
Polar Surface Area 185.74
LOGP Value -0.03      (Computed with XLOGP3)
0.24      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 15
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 0
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): P09211  
Entrez Gene IDNCBI Entrez Gene ID: 2950  
ASDInformation of known allosteric effects of PDB entries
 
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