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Related entries of code: 3cf8
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%
3cf9RCSB PDB    PDBbind159aa, >3CF9_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
2o3pRCSB PDB    PDBbindQUE
4dfuRCSB PDB    PDBbindQUE
4lmuRCSB PDB    PDBbindQUE
4mraRCSB PDB    PDBbindQUE
5auwRCSB PDB    PDBbindQUE
5xg4RCSB PDB    PDBbindQUE
6m89RCSB PDB    PDBbindQUE
Entry Information
PDB ID3cf8
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameHpFabZ
Ligand NameQUE
EC.Number E.C.4.2.1.-
Resolution 2.4(Å)
Affinity (Kd/Ki/IC50)Ki=12.7uM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference (2008) Protein Sci. Vol. 17: pp. 1971-1978
Ligand Properties
Formula C15H10O7
Molecular Weight 302.236
Exact Mass 302.043
No. of atoms 32
No. of bonds 34
Polar Surface Area 131.36
LOGP Value 2.17      (Computed with XLOGP3)
1.99      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 7
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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