Browse entries in the PDBbind-CN Database

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Related entries of code: 3eql
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1i6vRCSB PDB    PDBbind99aa, >1I6V_4|Chain... *
1zyrRCSB PDB    PDBbind99aa, >1ZYR_4|Chains... at 90%
3dxjRCSB PDB    PDBbind99aa, >3DXJ_4|Chains... at 90%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID3eql
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameThermus thermophilus RNA polymerase holoenzyme
Ligand NameMXP
EC.Number E.C.2.7.7.6
Resolution 2.7(Å)
Affinity (Kd/Ki/IC50)IC50=4.99uM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference (2009) Nature Vol. 457: pp. 332-335
Ligand Properties
Formula C23H33NO6
Molecular Weight 419.511
Exact Mass 419.231
No. of atoms 63
No. of bonds 63
Polar Surface Area 102.26
LOGP Value 5.30      (Computed with XLOGP3)
5.02      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 14
No. of Nitrogen and Oxygen Atoms: 7
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): Q9Z9H6  Q8RQE7  Q8RQE8  Q8RQE9  Q5SKW1  
Entrez Gene IDNCBI Entrez Gene ID: 3169128  3169896  3169754  3169736  3169450  
ASDInformation of known allosteric effects of PDB entries

 
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