Browse entries in the PDBbind-CN Database

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Related entries of code: 4tim
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1iigRCSB PDB    PDBbind250aa, >1IIG_1|Chains... *
1iihRCSB PDB    PDBbind250aa, >1IIH_1|Chains... at 100%
1kv5RCSB PDB    PDBbind250aa, >1KV5_1|Chains... at 99%
1ml1RCSB PDB    PDBbind243aa, >1ML1_1|Chains... at 95%
1trdRCSB PDB    PDBbind250aa, >1TRD_1|Chains... at 100%
1tsiRCSB PDB    PDBbind250aa, >1TSI_1|Chains... at 99%
2j27RCSB PDB    PDBbind250aa, >2J27_1|Chains... at 99%
2v2cRCSB PDB    PDBbind250aa, >2V2C_1|Chain... at 99%
2v2hRCSB PDB    PDBbind242aa, >2V2H_1|Chains... at 95%
6timRCSB PDB    PDBbind250aa, >6TIM_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 ID4tim
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Nametriosephosphate isomerase
Ligand Name2PG
EC.Number E.C.5.3.1.1
Resolution 2.4(Å)
Affinity (Kd/Ki/IC50)Ki=6.9mM
Release Year1992
Protein/NA SequenceCheck fasta file
Primary Reference J.Med.Chem. v34 pp. 2709-18, 1991
Ligand Properties
Formula C3H8O7P
Molecular Weight 187.065
Exact Mass 187.001
No. of atoms 19
No. of bonds 18
Polar Surface Area 141.04
LOGP Value -1.89      (Computed with XLOGP3)
-1.90      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 3
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): P04789  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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