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Related entries of code: 3cr4
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1mq1RCSB PDB    PDBbind91aa, >1MQ1:B|PDBID|CHAIN|... at 97%
1mwnRCSB PDB    PDBbind92aa, >1MWN:B|PDBID|CHAIN|... at 100%
2m49RCSB PDB    PDBbind91aa, >2M49:D|PDBID|CHAIN|... at 97%
3cr5RCSB PDB    PDBbind92aa, >3CR5:X|PDBID|CHAIN|... at 95%
3gk1RCSB PDB    PDBbind92aa, >3GK1:A|PDBID|CHAIN|... at 95%
3gk2RCSB PDB    PDBbind92aa, >3GK2:A|PDBID|CHAIN|... at 95%
3gk4RCSB PDB    PDBbind92aa, >3GK4:X|PDBID|CHAIN|... at 95%
3hcmRCSB PDB    PDBbind92aa, >3HCM:B|PDBID|CHAIN|... at 97%
3iqqRCSB PDB    PDBbind92aa, >3IQQ:A|PDBID|CHAIN|... at 95%
3lk0RCSB PDB    PDBbind90aa, >3LK0:D|PDBID|CHAIN|... at 95%
3lk1RCSB PDB    PDBbind90aa, >3LK1:A|PDBID|CHAIN|... at 95%
3lleRCSB PDB    PDBbind92aa, >3LLE:B|PDBID|CHAIN|... at 95%
4fqoRCSB PDB    PDBbind89aa, >4FQO:A|PDBID|CHAIN|... at 95%
4xynRCSB PDB    PDBbind92aa, >4XYN:D|PDBID|CHAIN|... at 97%
5dknRCSB PDB    PDBbind92aa, >5DKN:A|PDBID|CHAIN|... at 95%
5dkrRCSB PDB    PDBbind92aa, >5DKR:B|PDBID|CHAIN|... at 95%
5er4RCSB PDB    PDBbind92aa, >5ER4:X|PDBID|CHAIN|... at 95%
5er5RCSB PDB    PDBbind92aa, >5ER5:A|PDBID|CHAIN|... at 95%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3cr5RCSB PDB    PDBbindPNT
3gy3RCSB PDB    PDBbindPNT
3hiiRCSB PDB    PDBbindPNT

Entry Information
PDB ID3cr4
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCa2+ loaded S100B
Ligand NamePNT
EC.Number E.C.-.-.-.-
Resolution 2.15(Å)
Affinity (Kd/Ki/IC50)Kd=53uM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference(2008) J.Mol.Biol. Vol. 382: pp. 56-73
Ligand Properties
Formula C19H26N4O2
Molecular Weight 342.435
Exact Mass 342.206
No. of atoms 51
No. of bonds 52
Polar Surface Area 121.68
LOGP Value 5.81      (Computed with XLOGP3)
0.64      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 0
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 6
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): P02638  
Entrez Gene IDNCBI Entrez Gene ID: 525716  
ASDInformation of known allosteric effects of PDB entries

 
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