Browse entries in the PDBbind-CN Database

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Related entries of code: 2ndo
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4tkyRCSB PDB    PDBbind191aa, >4TKY_1|Chains... *
4wetRCSB PDB    PDBbind189aa, >4WET_1|Chains... at 99%
4weyRCSB PDB    PDBbind189aa, >4WEY_1|Chains... at 99%
4wf4RCSB PDB    PDBbind189aa, >4WF4_1|Chains... at 99%
4zijRCSB PDB    PDBbind188aa, >4ZIJ_1|Chains... at 99%
6pvzRCSB PDB    PDBbind189aa, >6PVZ_1|Chains... at 99%
6pvyRCSB PDB    PDBbind189aa, >6PVY_1|Chains... at 99%
6poqRCSB PDB    PDBbind189aa, >6POQ_1|Chains... at 99%
6poiRCSB PDB    PDBbind189aa, >6POI_1|Chains... at 99%
6pohRCSB PDB    PDBbind189aa, >6POH_1|Chains... at 99%
6pmlRCSB PDB    PDBbind189aa, >6PML_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4zijRCSB PDB    PDBbindSFQ
Entry Information
PDB ID2ndo
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namedisulfide-dithiol oxidoreductase enzyme DsbA
Ligand NameSFQ
EC.Number E.C.-.-.-.-
Resolution NMR
Affinity (Kd/Ki/IC50)Kd=565uM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2016) J.Biomol.Nmr Vol. 66: pp. 195-208
Ligand Properties
Formula C13H10INO4S
Molecular Weight 403.192
Exact Mass 402.938
No. of atoms 30
No. of bonds 31
Polar Surface Area 91.85
LOGP Value 4.26      (Computed with XLOGP3)
3.94      (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: 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): P0AEG4  
Entrez Gene IDNCBI Entrez Gene ID: 61755786  948353  
ASDInformation of known allosteric effects of PDB entries
 
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