Browse entries in the PDBbind-CN Database

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Related entries of code: 1k2i
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1ggdRCSB PDB    PDBbind97aa, >1GGD_3|Chain... at 100%
1oxgRCSB PDB    PDBbind14aa, >1OXG_2|Chain... at 100%
1vgcRCSB PDB    PDBbind97aa, >1VGC_3|Chain... at 100%
2p8oRCSB PDB    PDBbind97aa, >2P8O_3|Chain... at 100%
2vgcRCSB PDB    PDBbind131aa, >2VGC_2|Chain... at 100%
3vgcRCSB PDB    PDBbind97aa, >3VGC_3|Chain... at 100%
4q2kRCSB PDB    PDBbind245aa, >4Q2K_1|Chains... at 100%
4vgcRCSB PDB    PDBbind13aa, >4VGC_1|Chain... at 100%
6chaRCSB PDB    PDBbind97aa, >6CHA_3|Chains... at 100%
6gchRCSB PDB    PDBbind131aa, >6GCH_2|Chain... at 100%
7gchRCSB PDB    PDBbind97aa, >7GCH_3|Chain... 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 ID1k2i
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namechymotrypsinogen a
Ligand NameSN1
EC.Number E.C.3.4.21.1
Resolution 1.8(Å)
Affinity (Kd/Ki/IC50)IC50=0.78mM
Release Year2001
Protein/NA SequenceCheck fasta file
Primary Reference J.Mol.Biol. v314 pp. 519-25, 2001
Ligand Properties
Formula C9H8O3
Molecular Weight 164.158
Exact Mass 164.047
No. of atoms 20
No. of bonds 20
Polar Surface Area 57.53
LOGP Value 1.10      (Computed with XLOGP3)
1.31      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 1
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): P00766  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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