Browse entries in the PDBbind-CN Database

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Related entries of code: 3rux
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4xtvRCSB PDB    PDBbind270aa, >4XTV_1|Chains... at 100%
4xtwRCSB PDB    PDBbind270aa, >4XTW_1|Chains... at 100%
4xtxRCSB PDB    PDBbind270aa, >4XTX_1|Chains... at 100%
4xtyRCSB PDB    PDBbind270aa, >4XTY_1|Chains... at 100%
4xtzRCSB PDB    PDBbind270aa, >4XTZ_1|Chains... at 100%
4xu0RCSB PDB    PDBbind270aa, >4XU0_1|Chains... at 100%
4xu1RCSB PDB    PDBbind270aa, >4XU1_1|Chains... at 100%
4xu2RCSB PDB    PDBbind270aa, >4XU2_1|Chains... at 100%
4xu3RCSB PDB    PDBbind270aa, >4XU3_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
5i2fRCSB PDB    PDBbindBS5

Entry Information
PDB ID3rux
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameBirA bifunctional protein
Ligand NameBS5
EC.Number E.C.6.3.4.15
Resolution 1.7(Å)
Affinity (Kd/Ki/IC50)Kd=0.53nM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) Chem.Biol. Vol. 18: pp. 1432-1441
Ligand Properties
Formula C20H29N9O7S2
Molecular Weight 571.630
Exact Mass 571.163
No. of atoms 67
No. of bonds 71
Polar Surface Area 269.39
LOGP Value -2.06      (Computed with XLOGP3)
0.81      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 7
No. of Hydrogen Bond Acceptors: 9
No. of Rotatable Bonds: 13
No. of Nitrogen and Oxygen Atoms: 16
No. of Rings: 5
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): P96884  I6YFP0  
Entrez Gene IDNCBI Entrez Gene ID: 888726  
ASDInformation of known allosteric effects of PDB entries

 
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