Browse entries in the PDBbind-CN Database

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Related entries of code: 4wr8
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1gczRCSB PDB    PDBbind122aa, >1GCZ_1|Chains... *
1ljtRCSB PDB    PDBbind114aa, >1LJT_1|Chains... at 100%
2oohRCSB PDB    PDBbind114aa, >2OOH_1|Chains... at 100%
2oozRCSB PDB    PDBbind114aa, >2OOZ_1|Chains... at 100%
3b9sRCSB PDB    PDBbind114aa, >3B9S_1|Chains... at 100%
3ijgRCSB PDB    PDBbind114aa, >3IJG_1|Chains... at 100%
3l5rRCSB PDB    PDBbind122aa, >3L5R_1|Chains... at 100%
3u18RCSB PDB    PDBbind114aa, >3U18_1|Chains... at 100%
3wnrRCSB PDB    PDBbind114aa, >3WNR_1|Chains... at 100%
3wnsRCSB PDB    PDBbind114aa, >3WNS_1|Chains... at 100%
3wntRCSB PDB    PDBbind114aa, >3WNT_1|Chains... at 100%
4k9gRCSB PDB    PDBbind114aa, >4K9G_1|Chains... at 100%
4osfRCSB PDB    PDBbind114aa, >4OSF_1|Chains... at 100%
4wrbRCSB PDB    PDBbind114aa, >4WRB_1|Chains... at 100%
5hvsRCSB PDB    PDBbind114aa, >5HVS_1|Chains... at 100%
5hvtRCSB PDB    PDBbind114aa, >5HVT_1|Chains... at 100%
5j7pRCSB PDB    PDBbind114aa, >5J7P_1|Chains... at 100%
5j7qRCSB PDB    PDBbind114aa, >5J7Q_1|Chains... at 100%
6b1cRCSB PDB    PDBbind114aa, >6B1C_1|Chains... at 100%
6b1kRCSB PDB    PDBbind114aa, >6B1K_1|Chains... at 100%
6b2cRCSB PDB    PDBbind114aa, >6B2C_1|Chains... at 100%
6cb5RCSB PDB    PDBbind114aa, >6CB5_1|Chains... at 100%
6cbfRCSB PDB    PDBbind114aa, >6CBF_1|Chains... at 100%
6cbgRCSB PDB    PDBbind114aa, >6CBG_1|Chains... at 100%
6cbhRCSB PDB    PDBbind114aa, >6CBH_1|Chains... at 100%
6pegRCSB PDB    PDBbind114aa, >6PEG_1|Chains... 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 ID4wr8
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameMacrophage migration inhibitory factor
Ligand Name3TX
EC.Number E.C.5.3.2.1
Resolution 2.6(Å)
Affinity (Kd/Ki/IC50)Ki=0.59uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) J.Am.Chem.Soc. Vol. 137: pp. 2996-3003
Ligand Properties
Formula C17H12N4O
Molecular Weight 288.303
Exact Mass 288.101
No. of atoms 34
No. of bonds 37
Polar Surface Area 63.83
LOGP Value 2.96      (Computed with XLOGP3)
3.19      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 4
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): P14174  
Entrez Gene IDNCBI Entrez Gene ID: 4282  
ASDInformation of known allosteric effects of PDB entries
 
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