Browse entries in the PDBbind-CN Database

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Related entries of code: 4re2
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4re3RCSB PDB    PDBbind503aa, >4RE3_1|Chain... at 100%
4re4RCSB PDB    PDBbind503aa, >4RE4_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2vmfRCSB PDB    PDBbindMVL
2wzsRCSB PDB    PDBbindMVL
3d4yRCSB PDB    PDBbindMVL
4ayqRCSB PDB    PDBbindMVL
6f90RCSB PDB    PDBbindMVL
6f92RCSB PDB    PDBbindMVL
6rqkRCSB PDB    PDBbindMVL

Entry Information
PDB ID4re2
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameBeta-mannosidase/beta-glucosidase, GH1 Os7BGlu26
Ligand NameMVL
EC.Number E.C.
Resolution 2(Å)
Affinity (Kd/Ki/IC50)Ki=10.4uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) ACS CATALYSIS Vol. 5: pp. 6041-6051
Ligand Properties
Formula C8H12N2O4
Molecular Weight 200.192
Exact Mass 200.080
No. of atoms 26
No. of bonds 27
Polar Surface Area 98.74
LOGP Value -2.43      (Computed with XLOGP3)
-1.81      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 6
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): A2YPH1  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

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