Browse entries in the PDBbind-CN Database

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Related entries of code: 3doy
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2glmRCSB PDB    PDBbind171aa, >2GLM_1|Chains... *
2glpRCSB PDB    PDBbind171aa, >2GLP_1|Chains... at 100%
3b7jRCSB PDB    PDBbind159aa, >3B7J_1|Chains... at 100%
3cf8RCSB PDB    PDBbind159aa, >3CF8_1|Chains... at 100%
3cf9RCSB PDB    PDBbind159aa, >3CF9_1|Chains... at 100%
3d04RCSB PDB    PDBbind159aa, >3D04_1|Chains... at 100%
3dozRCSB PDB    PDBbind159aa, >3DOZ_1|Chains... at 100%
3dp0RCSB PDB    PDBbind159aa, >3DP0_1|Chains... at 100%
3dp1RCSB PDB    PDBbind159aa, >3DP1_1|Chains... at 100%
3dp2RCSB PDB    PDBbind159aa, >3DP2_1|Chains... at 100%
3dp3RCSB PDB    PDBbind159aa, >3DP3_1|Chains... at 100%
3ed0RCSB PDB    PDBbind159aa, >3ED0_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID3doy
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Name(3R)-hydroxymyristoyl-acyl carrier protein dehydratase
Ligand Name2BE
EC.Number E.C.4.2.1.-
Resolution 2.4(Å)
Affinity (Kd/Ki/IC50)IC50=1.52uM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2009) J.Med.Chem. Vol. 52: pp. 2465-2481
Ligand Properties
Formula C14H9Br2ClN2O3
Molecular Weight 448.494
Exact Mass 445.867
No. of atoms 31
No. of bonds 32
Polar Surface Area 82.25
LOGP Value 4.82      (Computed with XLOGP3)
5.07      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 2
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): Q5G940  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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