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Related entries of code: 3lle
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%
3cr4RCSB PDB    PDBbind92aa, >3CR4:X|PDBID|CHAIN|... at 95%
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%
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
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID3lle
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameBovine Protein S100-B with Ca2+
Ligand NameSGE
EC.Number E.C.-.-.-.-
Resolution 1.85(Å)
Affinity (Kd/Ki/IC50)Kd=10.7uM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference(2010) Int.J.High Throughput Screen Vol. 2010: pp. 109-126
Ligand Properties
Formula C20H15NO4
Molecular Weight 333.337
Exact Mass 333.100
No. of atoms 40
No. of bonds 45
Polar Surface Area 40.16
LOGP Value 4.12      (Computed with XLOGP3)
3.98      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 0
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 5
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): P02638  
Entrez Gene IDNCBI Entrez Gene ID: 525716  
ASDInformation of known allosteric effects of PDB entries

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