Browse entries in the PDBbind-CN Database

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Related entries of code: 2nsj
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2ateRCSB PDB    PDBbind169aa, >2ATE_1|Chain... *
2nslRCSB PDB    PDBbind169aa, >2NSL_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2nslRCSB PDB    PDBbindC2R

Entry Information
PDB ID2nsj
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameN5-CAIR mutase(H45Q)
Ligand NameC2R
EC.Number E.C.4.1.1.21
Resolution 2.31(Å)
Affinity (Kd/Ki/IC50)Kd=16.3uM
Release Year2007
Protein/NA SequenceCheck fasta file
Primary Reference Biochemistry. 2007, 46, 2842-2855.
Ligand Properties
Formula C9H15N3O9P
Molecular Weight 340.204
Exact Mass 340.055
No. of atoms 37
No. of bonds 38
Polar Surface Area 214.34
LOGP Value -2.56      (Computed with XLOGP3)
-1.97      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 12
No. of Rings: 2
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): P0AG18  
Entrez Gene IDNCBI Entrez Gene ID: 61755602  949031  
ASDInformation of known allosteric effects of PDB entries

 
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