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Related entries of code: 1h0r
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
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%
4ciwRCSB PDB    PDBbind146aa, >4CIW_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
1gu1RCSB PDB    PDBbindFA1
2c57RCSB PDB    PDBbindFA1
3n7aRCSB PDB    PDBbindFA1

Entry Information
PDB ID1h0r
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameType II Dehydroquinase from Mycobacterium Tuberculosis
Ligand NameFA1
EC.Number E.C.4.2.1.10
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)Ki=200uM
Release Year2003
Protein/NA SequenceCheck fasta file
Primary Reference (2005) J. Med. Chem., Vol.48, pp.4871-4881
Ligand Properties
Formula C7H10O5
Molecular Weight 174.151
Exact Mass 174.053
No. of atoms 22
No. of bonds 22
Polar Surface Area 97.99
LOGP Value -0.64      (Computed with XLOGP3)
-1.52      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 5
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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