Browse entries in the PDBbind-CN Database

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Related entries of code: 4ua8
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4uacRCSB PDB    PDBbind400aa, >4UAC_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2gguRCSB PDB    PDBbindMLR
2gh9RCSB PDB    PDBbindMLR
3ckbRCSB PDB    PDBbindMLR
5m28RCSB PDB    PDBbindMLR

Entry Information
PDB ID4ua8
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameCarbohydrate ABC transporter substrate-binding protein, CUT1 family (TC 3.A.1.1.-) EUR_01830
Ligand NameMLR
EC.Number E.C.-.-.-.-
Resolution 1.54(Å)
Affinity (Kd/Ki/IC50)Kd=550nM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Mol.Microbiol. Vol. 95: pp. 209-230
Ligand Properties
Formula C18H32O16
Molecular Weight 504.437
Exact Mass 504.169
No. of atoms 66
No. of bonds 68
Polar Surface Area 268.68
LOGP Value -6.88      (Computed with XLOGP3)
-7.57      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 11
No. of Hydrogen Bond Acceptors: 11
No. of Rotatable Bonds: 18
No. of Nitrogen and Oxygen Atoms: 16
No. of Rings: 3
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): D6E1Y1  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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