Browse entries in the PDBbind-CN Database

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Related entries of code: 3gk1
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1mq1RCSB PDB    PDBbind91aa, >1MQ1_1|Chains... at 97%
1mwnRCSB PDB    PDBbind92aa, >1MWN_1|Chains... *
2m49RCSB PDB    PDBbind91aa, >2M49_2|Chains... at 97%
3cr4RCSB PDB    PDBbind92aa, >3CR4_1|Chain... at 95%
3cr5RCSB PDB    PDBbind92aa, >3CR5_1|Chain... at 95%
3gk2RCSB PDB    PDBbind92aa, >3GK2_1|Chain... at 95%
3gk4RCSB PDB    PDBbind92aa, >3GK4_1|Chain... at 95%
3hcmRCSB PDB    PDBbind92aa, >3HCM_1|Chains... at 97%
3iqqRCSB PDB    PDBbind92aa, >3IQQ_1|Chain... at 95%
3lk0RCSB PDB    PDBbind90aa, >3LK0_1|Chains... at 95%
3lk1RCSB PDB    PDBbind90aa, >3LK1_1|Chain... at 95%
3lleRCSB PDB    PDBbind92aa, >3LLE_1|Chains... at 95%
4fqoRCSB PDB    PDBbind89aa, >4FQO_1|Chain... at 95%
4xynRCSB PDB    PDBbind92aa, >4XYN_2|Chains... at 97%
5dknRCSB PDB    PDBbind92aa, >5DKN_1|Chain... at 95%
5dkrRCSB PDB    PDBbind92aa, >5DKR_1|Chains... at 95%
5er4RCSB PDB    PDBbind92aa, >5ER4_1|Chain... at 95%
5er5RCSB PDB    PDBbind92aa, >5ER5_1|Chain... at 95%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID3gk1
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameCalcium-Bound Protein S100-B
Ligand Name32A
EC.Number E.C.-.-.-.-
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)Kd=80uM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2009) Biochemistry
Ligand Properties
Formula C13H17N3O2S
Molecular Weight 279.358
Exact Mass 279.104
No. of atoms 36
No. of bonds 36
Polar Surface Area 98.39
LOGP Value 2.85      (Computed with XLOGP3)
2.73      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 5
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): P02638  
Entrez Gene IDNCBI Entrez Gene ID: 525716  
ASDInformation of known allosteric effects of PDB entries

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