Browse entries in the PDBbind-CN Database

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Related entries of code: 3cf9
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%
3d04RCSB PDB    PDBbind159aa, >3D04_1|Chains... at 100%
3doyRCSB PDB    PDBbind159aa, >3DOY_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
4derRCSB PDB    PDBbindAGI
4dgmRCSB PDB    PDBbindAGI
4hkkRCSB PDB    PDBbindAGI
5auvRCSB PDB    PDBbindAGI
Entry Information
PDB ID3cf9
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHpFabZ
Ligand NameAGI
EC.Number E.C.4.2.1.-
Resolution 2.6(Å)
Affinity (Kd/Ki/IC50)Ki=14.9uM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference (2008) Protein Sci. Vol. 17: pp. 1971-1978
Ligand Properties
Formula C15H10O5
Molecular Weight 270.237
Exact Mass 270.053
No. of atoms 30
No. of bonds 32
Polar Surface Area 90.9
LOGP Value 2.67      (Computed with XLOGP3)
2.58      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 3
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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