Browse entries in the PDBbind-CN Database

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Related entries of code: 3t0x
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3t0wRCSB PDB    PDBbind123aa, >3T0W_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3t0wRCSB PDB    PDBbindDIW

Entry Information
PDB ID3t0x
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameImmunoglobulin variable lambda domain M8VLA4(S55P)
Ligand NameDIW
EC.Number E.C.-.-.-.-
Resolution 1.96(Å)
Affinity (Kd/Ki/IC50)Kd=10nM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Biochemistry Vol. 51: pp. 2471-2485
Ligand Properties
Formula C26H32N2O3S
Molecular Weight 452.609
Exact Mass 452.213
No. of atoms 64
No. of bonds 67
Polar Surface Area 102.23
LOGP Value 4.23      (Computed with XLOGP3)
5.50      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 6
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 ACNo matched UniProt accession number (AC) found!
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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