Browse entries in the PDBbind-CN Database

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Related entries of code: 2qtr
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2qtnRCSB PDB    PDBbind189aa, >2QTN_1|Chains... at 99%
3hfjRCSB PDB    PDBbind191aa, >3HFJ_1|Chains... *
3mlbRCSB PDB    PDBbind191aa, >3MLB_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3dlaRCSB PDB    PDBbindNXX

Entry Information
PDB ID2qtr
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameNicotinate (Nicotinamide) nucleotide adenylyltransferase
Ligand NameNXX
EC.Number E.C.2.7.7.18
Resolution 1.7(Å)
Affinity (Kd/Ki/IC50)Kd=3.2uM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference (2009) J.Mol.Biol. Vol. 385: pp. 867-888
Ligand Properties
Formula C21H30N6O15P2
Molecular Weight 668.442
Exact Mass 668.124
No. of atoms 74
No. of bonds 78
Polar Surface Area 345.33
LOGP Value -4.44      (Computed with XLOGP3)
-2.79      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 13
No. of Rotatable Bonds: 14
No. of Nitrogen and Oxygen Atoms: 21
No. of Rings: 5
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): C3L5T6  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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