Browse entries in the PDBbind-CN Database

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Related entries of code: 4xyn
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%
3gk1RCSB PDB    PDBbind92aa, >3GK1_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%
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
1a37RCSB PDB    PDBbind15-mer
1eolRCSB PDB    PDBbind15-mer
1j7zRCSB PDB    PDBbind15-mer
1j80RCSB PDB    PDBbind15-mer
1j81RCSB PDB    PDBbind15-mer
1jycRCSB PDB    PDBbind15-mer
1kc5RCSB PDB    PDBbind15-mer
1kcsRCSB PDB    PDBbind15-mer
1klgRCSB PDB    PDBbind15-mer
1kluRCSB PDB    PDBbind15-mer
1knaRCSB PDB    PDBbind15-mer
1kneRCSB PDB    PDBbind15-mer
1om9RCSB PDB    PDBbind15-mer
1t08RCSB PDB    PDBbind15-mer
1t79RCSB PDB    PDBbind15-mer
1t7fRCSB PDB    PDBbind15-mer
1t7rRCSB PDB    PDBbind15-mer
1tetRCSB PDB    PDBbind15-mer
1w70RCSB PDB    PDBbind15-mer
1xhmRCSB PDB    PDBbind15-mer
2aq9RCSB PDB    PDBbind15-mer
2aucRCSB PDB    PDBbind15-mer
2bbaRCSB PDB    PDBbind15-mer
2co0RCSB PDB    PDBbind15-mer
2d1xRCSB PDB    PDBbind15-mer
2f6jRCSB PDB    PDBbind15-mer
2fsaRCSB PDB    PDBbind15-mer
2fuuRCSB PDB    PDBbind15-mer
2jk9RCSB PDB    PDBbind15-mer
2k00RCSB PDB    PDBbind15-mer
2kspRCSB PDB    PDBbind15-mer
2kwnRCSB PDB    PDBbind15-mer
2l11RCSB PDB    PDBbind15-mer
2l12RCSB PDB    PDBbind15-mer
2l1bRCSB PDB    PDBbind15-mer
2lbmRCSB PDB    PDBbind15-mer
2lgfRCSB PDB    PDBbind15-mer
2ltxRCSB PDB    PDBbind15-mer
2ltyRCSB PDB    PDBbind15-mer
2ltzRCSB PDB    PDBbind15-mer
2m41RCSB PDB    PDBbind15-mer
2mwoRCSB PDB    PDBbind15-mer
2mwyRCSB PDB    PDBbind15-mer
2n9eRCSB PDB    PDBbind15-mer
2pmcRCSB PDB    PDBbind15-mer
2rnwRCSB PDB    PDBbind15-mer
2rnyRCSB PDB    PDBbind15-mer
2vwfRCSB PDB    PDBbind15-mer
2w0pRCSB PDB    PDBbind15-mer
2xxnRCSB PDB    PDBbind15-mer
2z5sRCSB PDB    PDBbind15-mer
2z5tRCSB PDB    PDBbind15-mer
3b95RCSB PDB    PDBbind15-mer
3btrRCSB PDB    PDBbind15-mer
3bu6RCSB PDB    PDBbind15-mer
3cfsRCSB PDB    PDBbind15-mer
3dabRCSB PDB    PDBbind15-mer
3fdtRCSB PDB    PDBbind15-mer
3gheRCSB PDB    PDBbind15-mer
3gv6RCSB PDB    PDBbind15-mer
3h1zRCSB PDB    PDBbind15-mer
3h91RCSB PDB    PDBbind15-mer
3hqhRCSB PDB    PDBbind15-mer
3jpxRCSB PDB    PDBbind15-mer
3l3qRCSB PDB    PDBbind15-mer
3l6fRCSB PDB    PDBbind15-mer
3m17RCSB PDB    PDBbind15-mer
3o6lRCSB PDB    PDBbind15-mer
3ql9RCSB PDB    PDBbind15-mer
3qlcRCSB PDB    PDBbind15-mer
3qo2RCSB PDB    PDBbind15-mer
3qxdRCSB PDB    PDBbind15-mer
3r93RCSB PDB    PDBbind15-mer
3uigRCSB PDB    PDBbind15-mer
3uihRCSB PDB    PDBbind15-mer
3uijRCSB PDB    PDBbind15-mer
3wp0RCSB PDB    PDBbind15-mer
3wsyRCSB PDB    PDBbind15-mer
4b4nRCSB PDB    PDBbind15-mer
4bxuRCSB PDB    PDBbind15-mer
4cy1RCSB PDB    PDBbind15-mer
4dmaRCSB PDB    PDBbind15-mer
4dx9RCSB PDB    PDBbind15-mer
4ezoRCSB PDB    PDBbind15-mer
4ft2RCSB PDB    PDBbind15-mer
4gnfRCSB PDB    PDBbind15-mer
4gngRCSB PDB    PDBbind15-mer
4hfzRCSB PDB    PDBbind15-mer
4iurRCSB PDB    PDBbind15-mer
4iutRCSB PDB    PDBbind15-mer
4iuuRCSB PDB    PDBbind15-mer
4iuvRCSB PDB    PDBbind15-mer
4j8sRCSB PDB    PDBbind15-mer
4k0uRCSB PDB    PDBbind15-mer
4n3wRCSB PDB    PDBbind15-mer
4n5tRCSB PDB    PDBbind15-mer
4nb3RCSB PDB    PDBbind15-mer
4nmxRCSB PDB    PDBbind15-mer
4nw2RCSB PDB    PDBbind15-mer
4o36RCSB PDB    PDBbind15-mer
4o37RCSB PDB    PDBbind15-mer
4o3uRCSB PDB    PDBbind15-mer
4o42RCSB PDB    PDBbind15-mer
4o45RCSB PDB    PDBbind15-mer
4os1RCSB PDB    PDBbind15-mer
4os4RCSB PDB    PDBbind15-mer
4os5RCSB PDB    PDBbind15-mer
4os7RCSB PDB    PDBbind15-mer
4psxRCSB PDB    PDBbind15-mer
4r1eRCSB PDB    PDBbind15-mer
4r3sRCSB PDB    PDBbind15-mer
4rrvRCSB PDB    PDBbind15-mer
4u0aRCSB PDB    PDBbind15-mer
4u0bRCSB PDB    PDBbind15-mer
4u6xRCSB PDB    PDBbind15-mer
4u6yRCSB PDB    PDBbind15-mer
5cfaRCSB PDB    PDBbind15-mer
5cinRCSB PDB    PDBbind15-mer
5cqxRCSB PDB    PDBbind15-mer
5difRCSB PDB    PDBbind15-mer
5eppRCSB PDB    PDBbind15-mer
5etfRCSB PDB    PDBbind15-mer
5fb0RCSB PDB    PDBbind15-mer
5fb1RCSB PDB    PDBbind15-mer
5h5qRCSB PDB    PDBbind15-mer
5h5rRCSB PDB    PDBbind15-mer
5ix1RCSB PDB    PDBbind15-mer
5izuRCSB PDB    PDBbind15-mer
5j19RCSB PDB    PDBbind15-mer
5j9kRCSB PDB    PDBbind15-mer
5jlzRCSB PDB    PDBbind15-mer
5ksuRCSB PDB    PDBbind15-mer
5ksvRCSB PDB    PDBbind15-mer
5kzpRCSB PDB    PDBbind15-mer
5laxRCSB PDB    PDBbind15-mer
5mloRCSB PDB    PDBbind15-mer
5o45RCSB PDB    PDBbind15-mer
5svzRCSB PDB    PDBbind15-mer
5t1iRCSB PDB    PDBbind15-mer
5twgRCSB PDB    PDBbind15-mer
5u66RCSB PDB    PDBbind15-mer
5ul6RCSB PDB    PDBbind15-mer
5uwjRCSB PDB    PDBbind15-mer
5v4bRCSB PDB    PDBbind15-mer
5vb9RCSB PDB    PDBbind15-mer
5vzyRCSB PDB    PDBbind15-mer
5wirRCSB PDB    PDBbind15-mer
5ypoRCSB PDB    PDBbind15-mer
5znpRCSB PDB    PDBbind15-mer
5zujRCSB PDB    PDBbind15-mer
6atvRCSB PDB    PDBbind15-mer
6b5mRCSB PDB    PDBbind15-mer
6b5oRCSB PDB    PDBbind15-mer
6b5rRCSB PDB    PDBbind15-mer
6b5tRCSB PDB    PDBbind15-mer
6bizRCSB PDB    PDBbind15-mer
6f0yRCSB PDB    PDBbind15-mer
6rmmRCSB PDB    PDBbind15-mer
6rmlRCSB PDB    PDBbind15-mer
6q9tRCSB PDB    PDBbind15-mer
6holRCSB PDB    PDBbind15-mer
6e5xRCSB PDB    PDBbind15-mer
6bntRCSB PDB    PDBbind15-mer
5zk9RCSB PDB    PDBbind15-mer
5zjzRCSB PDB    PDBbind15-mer
5vtbRCSB PDB    PDBbind15-mer
6a5eRCSB PDB    PDBbind15-mer
Entry Information
PDB ID4xyn
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameProtein S100-B
Ligand Name15-mer
EC.Number E.C.-.-.-.-
Resolution 2.55(Å)
Affinity (Kd/Ki/IC50)Kd=1.3uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Acta Crystallogr.,Sect.D Vol. 71: pp. 1176-1183
Ligand Properties
Formula C49H83N14O14
Molecular Weight 1092.270
Exact Mass 1091.620
No. of atoms 160
No. of bonds 161
Polar Surface Area 484.94
LOGP Value -2.49      (Computed with XLOGP3)
-2.68      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 13
No. of Hydrogen Bond Acceptors: 14
No. of Rotatable Bonds: 43
No. of Nitrogen and Oxygen Atoms: 28
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): P04271  Q15109  
Entrez Gene IDNCBI Entrez Gene ID: 6285  177  
ASDInformation of known allosteric effects of PDB entries
 
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