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Related entries of code: 3mlb
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2qtnRCSB PDB    PDBbind189aa, >2QTN_1|Chains... at 99%
2qtrRCSB PDB    PDBbind189aa, >2QTR_1|Chains... at 100%
3hfjRCSB PDB    PDBbind191aa, >3HFJ_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID3mlb
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namenicotinate-nucleotide adenylyltransferase BaNadD
Ligand NameLJZ
EC.Number E.C.2.7.7.18
Resolution 1.8(Å)
Affinity (Kd/Ki/IC50)IC50=16uM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) J.Med.Chem. Vol. 53: pp. 5229-5239
Ligand Properties
Formula C28H26Cl2N6O4
Molecular Weight 581.450
Exact Mass 580.139
No. of atoms 66
No. of bonds 68
Polar Surface Area 141.12
LOGP Value 3.16      (Computed with XLOGP3)
5.66      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 16
No. of Nitrogen and Oxygen Atoms: 10
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): C3L5T6  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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