Browse entries in the PDBbind-CN Database

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Related entries of code: 4aje
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4aj1RCSB PDB    PDBbind331aa, >4AJ1_1|Chains... at 94%
4aj2RCSB PDB    PDBbind331aa, >4AJ2_1|Chains... at 94%
4aj4RCSB PDB    PDBbind332aa, >4AJ4_1|Chains... at 93%
4ajiRCSB PDB    PDBbind331aa, >4AJI_1|Chains... at 94%
4ajkRCSB PDB    PDBbind331aa, >4AJK_1|Chains... at 94%
4ajlRCSB PDB    PDBbind331aa, >4AJL_1|Chains... at 94%
4ajnRCSB PDB    PDBbind331aa, >4AJN_1|Chains... at 94%
4ajoRCSB PDB    PDBbind331aa, >4AJO_1|Chains... at 94%
4al4RCSB PDB    PDBbind331aa, >4AL4_1|Chains... at 94%
4i8xRCSB PDB    PDBbind331aa, >4I8X_1|Chains... at 93%
4i9hRCSB PDB    PDBbind331aa, >4I9H_1|Chains... at 93%
4i9uRCSB PDB    PDBbind331aa, >4I9U_1|Chains... at 93%
4qsmRCSB PDB    PDBbind337aa, >4QSM_1|Chains... *
4qt0RCSB PDB    PDBbind337aa, >4QT0_1|Chains... at 100%
5w8hRCSB PDB    PDBbind332aa, >5W8H_1|Chains... at 99%
5w8iRCSB PDB    PDBbind332aa, >5W8I_1|Chains... at 99%
5w8jRCSB PDB    PDBbind332aa, >5W8J_1|Chains... at 99%
5zjfRCSB PDB    PDBbind337aa, >5ZJF_1|Chains... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4aje
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namerat Lactate dehydrogenase A (LDHA)
Ligand Name2B4
EC.Number E.C.1.1.1.27
Resolution 2.35(Å)
Affinity (Kd/Ki/IC50)Kd=210uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) J.Med.Chem. Vol. 55: pp. 3285-3306
Ligand Properties
Formula C9H7BrO5
Molecular Weight 275.053
Exact Mass 273.948
No. of atoms 22
No. of bonds 22
Polar Surface Area 83.83
LOGP Value 3.74      (Computed with XLOGP3)
1.37      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 5
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): P04642  
Entrez Gene IDNCBI Entrez Gene ID: 24533  
ASDInformation of known allosteric effects of PDB entries
 
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