Browse entries in the PDBbind-CN Database

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Related entries of code: 2i2b
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2i2cRCSB PDB    PDBbind272aa, >2I2C_1|Chain... at 100%
4dy6RCSB PDB    PDBbind272aa, >4DY6_1|Chain... at 100%
5dhpRCSB PDB    PDBbind272aa, >5DHP_1|Chains... at 100%
5dhqRCSB PDB    PDBbind272aa, >5DHQ_1|Chains... at 100%
5dhrRCSB PDB    PDBbind272aa, >5DHR_1|Chains... at 100%
5dhsRCSB PDB    PDBbind272aa, >5DHS_1|Chains... at 100%
5dhtRCSB PDB    PDBbind272aa, >5DHT_1|Chains... at 100%
5dhuRCSB PDB    PDBbind272aa, >5DHU_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID2i2b
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameLmNADK1
Ligand NameCC5
EC.Number E.C.2.7.1.23
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)Ki=3.6mM
Release Year2007
Protein/NA SequenceCheck fasta file
Primary Reference (2007) J.Biol.Chem. Vol. 282: pp. 33925-33934
Ligand Properties
Formula C9H11N5O3
Molecular Weight 237.215
Exact Mass 237.086
No. of atoms 28
No. of bonds 30
Polar Surface Area 119.31
LOGP Value -1.84      (Computed with XLOGP3)
-0.76      (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: 8
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): Q8Y8D7  
Entrez Gene IDNCBI Entrez Gene ID: 986453  
ASDInformation of known allosteric effects of PDB entries

 
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