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Related entries of code: 4bi6
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4bi7RCSB PDB    PDBbind257aa, >4BI7_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1amkRCSB PDB    PDBbindPGA
1aw1RCSB PDB    PDBbindPGA
1eghRCSB PDB    PDBbindPGA
1htiRCSB PDB    PDBbindPGA
1kv5RCSB PDB    PDBbindPGA
1lyxRCSB PDB    PDBbindPGA
1lzoRCSB PDB    PDBbindPGA
1ml1RCSB PDB    PDBbindPGA
1pdzRCSB PDB    PDBbindPGA
1s89RCSB PDB    PDBbindPGA
2j27RCSB PDB    PDBbindPGA
2rkaRCSB PDB    PDBbindPGA
2v2cRCSB PDB    PDBbindPGA
2v2hRCSB PDB    PDBbindPGA
2ypiRCSB PDB    PDBbindPGA
3mohRCSB PDB    PDBbindPGA
4bi7RCSB PDB    PDBbindPGA
Entry Information
PDB ID4bi6
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameTRIOSEPHOSPHATE ISOMERASE (A198V, C202A, C222N mutation)
Ligand NamePGA
EC.Number E.C.5.3.1.1
Resolution 1.45(Å)
Affinity (Kd/Ki/IC50)Kd=113.3uM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Plos One Vol. 8: pp. 69031
Ligand Properties
Formula C2H6O6P
Molecular Weight 157.039
Exact Mass 156.990
No. of atoms 15
No. of bonds 14
Polar Surface Area 120.81
LOGP Value -1.24      (Computed with XLOGP3)
-1.26      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 6
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): P36186  
Entrez Gene IDNCBI Entrez Gene ID: 5699725  
ASDInformation of known allosteric effects of PDB entries
 
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