Browse entries in the PDBbind-CN Database

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Related entries of code: 6ooz
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2az5RCSB PDB    PDBbind148aa, >2AZ5_1|Chains... at 100%
3it8RCSB PDB    PDBbind161aa, >3IT8_1|Chains... at 93%
3wd5RCSB PDB    PDBbind157aa, >3WD5_1|Chain... at 99%
4g3yRCSB PDB    PDBbind157aa, >4G3Y_3|Chain... at 100%
5wuxRCSB PDB    PDBbind157aa, >5WUX_3|Chains... at 100%
6op0RCSB PDB    PDBbind158aa, >6OP0_1|Chains... at 99%
6ooyRCSB PDB    PDBbind157aa, >6OOY_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 ID6ooz
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamehTNF-alpha
Ligand NameA6Y
EC.Number E.C.-.-.-.-
Resolution 2.8(Å)
Affinity (Kd/Ki/IC50)Kd=9nM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Nat Commun Vol. 10: pp. 5795-5795
Ligand Properties
Formula C22H21N3O
Molecular Weight 343.422
Exact Mass 343.168
No. of atoms 47
No. of bonds 50
Polar Surface Area 50.94
LOGP Value 3.54      (Computed with XLOGP3)
4.18      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 4
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): P01375  
Entrez Gene IDNCBI Entrez Gene ID: 7124  
ASDInformation of known allosteric effects of PDB entries
 
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