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Related entries of code: 4arw
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3zlkRCSB PDB    PDBbind303aa, >3ZLK_1|Chains... *
3zllRCSB PDB    PDBbind303aa, >3ZLL_1|Chains... at 100%
4asjRCSB PDB    PDBbind293aa, >4ASJ_1|Chains... at 100%
4asyRCSB PDB    PDBbind293aa, >4ASY_1|Chains... at 100%
4b3uRCSB PDB    PDBbind303aa, >4B3U_1|Chains... at 100%
4b4gRCSB PDB    PDBbind303aa, >4B4G_1|Chains... at 100%
4b4mRCSB PDB    PDBbind303aa, >4B4M_1|Chains... at 100%
4b5bRCSB PDB    PDBbind303aa, >4B5B_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 ID4arw
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameGlucose-1-phosphate thymidylyltransferase (RmlA)
Ligand NameHNR
EC.Number E.C.2.7.7.24
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)Kd=0.074uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Acs Chem.Biol. Vol. 8, pp. 387-396
Ligand Properties
Formula C15H20N4O4S
Molecular Weight 352.409
Exact Mass 352.121
No. of atoms 44
No. of bonds 45
Polar Surface Area 119.02
LOGP Value 1.33      (Computed with XLOGP3)
2.45      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 8
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): Q9HU22  
Entrez Gene IDNCBI Entrez Gene ID: 879990  
ASDInformation of known allosteric effects of PDB entries

 
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