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Related entries of code: 4ciw
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1h0rRCSB PDB    PDBbind146aa, >1H0R_1|Chain... at 100%
2xb8RCSB PDB    PDBbind146aa, >2XB8_1|Chain... at 100%
2y71RCSB PDB    PDBbind146aa, >2Y71_1|Chain... at 100%
2y76RCSB PDB    PDBbind146aa, >2Y76_1|Chain... at 100%
2y77RCSB PDB    PDBbind146aa, >2Y77_1|Chain... at 100%
3n76RCSB PDB    PDBbind147aa, >3N76_1|Chain... at 100%
3n7aRCSB PDB    PDBbind147aa, >3N7A_1|Chains... at 100%
3n86RCSB PDB    PDBbind147aa, >3N86_1|Chains... at 100%
3n87RCSB PDB    PDBbind147aa, >3N87_1|Chains... at 100%
3n8kRCSB PDB    PDBbind172aa, >3N8K_1|Chains... *
3n8nRCSB PDB    PDBbind147aa, >3N8N_1|Chains... at 100%
4b6oRCSB PDB    PDBbind146aa, >4B6O_1|Chain... at 100%
4b6pRCSB PDB    PDBbind146aa, >4B6P_1|Chain... at 100%
4b6qRCSB PDB    PDBbind146aa, >4B6Q_1|Chain... at 100%
4civRCSB PDB    PDBbind146aa, >4CIV_1|Chain... at 100%
4cixRCSB PDB    PDBbind146aa, >4CIX_1|Chain... at 100%
4ciyRCSB PDB    PDBbind146aa, >4CIY_1|Chain... at 100%
4kijRCSB PDB    PDBbind153aa, >4KIJ_1|Chain... at 99%
4kiuRCSB PDB    PDBbind153aa, >4KIU_1|Chains... at 100%
4kiwRCSB PDB    PDBbind167aa, >4KIW_1|Chains... at 97%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID4ciw
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameMycobacterium tuberculosis type 2 dehydroquinase
Ligand NameXH2
EC.Number E.C.4.2.1.10
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)Ki=15.0uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) J.Med.Chem. Vol. 57: pp. 3494-3510
Ligand Properties
Formula C9H14O6
Molecular Weight 218.204
Exact Mass 218.079
No. of atoms 29
No. of bonds 29
Polar Surface Area 118.22
LOGP Value -1.51      (Computed with XLOGP3)
-1.76      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 1
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): P9WPX7  
Entrez Gene IDNCBI Entrez Gene ID: 888397  
ASDInformation of known allosteric effects of PDB entries

 
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