Browse entries in the PDBbind-CN Database

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Related entries of code: 3rlb
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4popRCSB PDB    PDBbind192aa, >4POP_1|Chains... at 100%
4povRCSB PDB    PDBbind192aa, >4POV_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1sbrRCSB PDB    PDBbindVIB
2lh8RCSB PDB    PDBbindVIB
5edlRCSB PDB    PDBbindVIB

Entry Information
PDB ID3rlb
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameThiT
Ligand NameVIB
EC.Number E.C.-.-.-.-
Resolution 2(Å)
Affinity (Kd/Ki/IC50)Kd=120pM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) Nat.Struct.Mol.Biol. Vol. 18: pp. 755-760
Ligand Properties
Formula C12H17N4OS
Molecular Weight 265.355
Exact Mass 265.112
No. of atoms 35
No. of bonds 36
Polar Surface Area 105.2
LOGP Value 1.02      (Computed with XLOGP3)
1.98      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
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 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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