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Related entries of code: 4del
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4a22RCSB PDB    PDBbind344aa, >4A22_1|Chains... at 100%
4lv4RCSB PDB    PDBbind349aa, >4LV4_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1b57RCSB PDB    PDBbindPGH
1ik4RCSB PDB    PDBbindPGH
1tpwRCSB PDB    PDBbindPGH
1trdRCSB PDB    PDBbindPGH
2isvRCSB PDB    PDBbindPGH
2iswRCSB PDB    PDBbindPGH
2vxnRCSB PDB    PDBbindPGH
3c52RCSB PDB    PDBbindPGH
3taoRCSB PDB    PDBbindPGH

Entry Information
PDB ID4del
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameFructose-bisphosphate aldolase
Ligand NamePGH
EC.Number E.C.4.1.2.13
Resolution 1.58(Å)
Affinity (Kd/Ki/IC50)Kd=21.1nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Biochemistry Vol. 52: pp. 912-925
Ligand Properties
Formula C2H7NO6P
Molecular Weight 172.054
Exact Mass 172.001
No. of atoms 17
No. of bonds 16
Polar Surface Area 132.84
LOGP Value -2.86      (Computed with XLOGP3)
-1.45      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 0
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): P9WQA3  
Entrez Gene IDNCBI Entrez Gene ID: 45424328  886474  
ASDInformation of known allosteric effects of PDB entries

 
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