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Related entries of code: 1njs
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4ew2RCSB PDB    PDBbind209aa, >4EW2_1|Chain... at 100%
4ew3RCSB PDB    PDBbind209aa, >4EW3_1|Chain... at 100%
4zytRCSB PDB    PDBbind210aa, >4ZYT_1|Chain... *
4zyuRCSB PDB    PDBbind210aa, >4ZYU_1|Chain... at 100%
4zyvRCSB PDB    PDBbind210aa, >4ZYV_1|Chain... at 100%
4zywRCSB PDB    PDBbind210aa, >4ZYW_1|Chain... at 100%
4zyxRCSB PDB    PDBbind210aa, >4ZYX_1|Chain... at 100%
4zyyRCSB PDB    PDBbind210aa, >4ZYY_1|Chain... at 100%
4zyzRCSB PDB    PDBbind210aa, >4ZYZ_1|Chain... at 100%
4zz0RCSB PDB    PDBbind210aa, >4ZZ0_1|Chain... at 100%
4zz1RCSB PDB    PDBbind210aa, >4ZZ1_1|Chain... at 100%
4zz2RCSB PDB    PDBbind210aa, >4ZZ2_1|Chain... at 100%
4zz3RCSB PDB    PDBbind210aa, >4ZZ3_1|Chain... at 100%
5j9fRCSB PDB    PDBbind210aa, >5J9F_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID1njs
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namephosphoribosylglycinamide formyltransferase
Ligand NameKEU
EC.Number E.C.2.1.2.2
Resolution 1.98(Å)
Affinity (Kd/Ki/IC50)Ki=15nM
Release Year2003
Protein/NA SequenceCheck fasta file
Primary Reference Biochemistry v42 pp. 6043-56, 2003
Ligand Properties
Formula C22H26F3N5O8
Molecular Weight 545.466
Exact Mass 545.173
No. of atoms 64
No. of bonds 65
Polar Surface Area 241.95
LOGP Value 1.96      (Computed with XLOGP3)
1.89      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 13
No. of Nitrogen and Oxygen Atoms: 13
No. of Rings: 2
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): P22102  
Entrez Gene IDNCBI Entrez Gene ID: 2618  
ASDInformation of known allosteric effects of PDB entries

 
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