Browse entries in the PDBbind-CN Database

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Related entries of code: 2i2c
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2i2bRCSB PDB    PDBbind272aa, >2I2B_1|Chain... *
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 ID2i2c
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameLmNADK1
Ligand NameDTA
EC.Number E.C.-.-.-.-
Resolution 1.85(Å)
Affinity (Kd/Ki/IC50)Ki=0.02mM
Release Year2007
Protein/NA SequenceCheck fasta file
Primary Reference (2007) J.Biol.Chem. Vol. 282: pp. 33925-33934
Ligand Properties
Formula C20H24N10O6S2
Molecular Weight 564.598
Exact Mass 564.132
No. of atoms 62
No. of bonds 67
Polar Surface Area 289.22
LOGP Value -3.09      (Computed with XLOGP3)
-0.39      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 16
No. of Rings: 6
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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