Browse entries in the PDBbind-CN Database

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Related entries of code: 2qtg
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2qttRCSB PDB    PDBbind267aa, >2QTT_1|Chains... at 100%
3lgsRCSB PDB    PDBbind267aa, >3LGS_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1nc1RCSB PDB    PDBbindMTH
Entry Information
PDB ID2qtg
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameAtMTAN1
Ligand NameMTH
EC.Number E.C.3.2.2.16
Resolution 1.84(Å)
Affinity (Kd/Ki/IC50)Ki=8.3uM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference (2008) J.Mol.Biol. Vol. 378: pp. 112-128
Ligand Properties
Formula C12H16N4O3S
Molecular Weight 296.345
Exact Mass 296.094
No. of atoms 36
No. of bonds 38
Polar Surface Area 131.72
LOGP Value -0.56      (Computed with XLOGP3)
0.58      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 3
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): Q9T0I8  
Entrez Gene IDNCBI Entrez Gene ID: 830035  
ASDInformation of known allosteric effects of PDB entries
 
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