Browse entries in the PDBbind-CN Database

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Related entries of code: 3tf6
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1l6mRCSB PDB    PDBbind180aa, >1L6M_1|Chains... at 98%
3fw4RCSB PDB    PDBbind178aa, >3FW4_1|Chains... at 100%
3u0dRCSB PDB    PDBbind198aa, >3U0D_1|Chains... *
4k19RCSB PDB    PDBbind180aa, >4K19_1|Chains... at 98%
6qmuRCSB PDB    PDBbind188aa, >6QMU_1|Chains... at 92%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1l6mRCSB PDB    PDBbindDBH
3u0dRCSB PDB    PDBbindDBH

Entry Information
PDB ID3tf6
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namemammalian antibacterial protein siderocalin (Scn), also lipocalin 2
Ligand NameDBH
EC.Number E.C.-.-.-.-
Resolution 2.35(Å)
Affinity (Kd/Ki/IC50)Kd=0.40uM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Plos One Vol. 7: pp. e43696-e43696
Ligand Properties
Formula C7H6O4
Molecular Weight 154.120
Exact Mass 154.027
No. of atoms 17
No. of bonds 17
Polar Surface Area 77.76
LOGP Value 2.37      (Computed with XLOGP3)
0.80      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 4
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): P80188  
Entrez Gene IDNCBI Entrez Gene ID: 3934  
ASDInformation of known allosteric effects of PDB entries

 
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