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Related entries of code: 3mxr
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1ongRCSB PDB    PDBbind265aa, >1ONG_1|Chain... at 100%
3d4fRCSB PDB    PDBbind286aa, >3D4F_1|Chain... *
3mkeRCSB PDB    PDBbind265aa, >3MKE_1|Chain... at 100%
3mkfRCSB PDB    PDBbind265aa, >3MKF_1|Chain... at 100%
3mxsRCSB PDB    PDBbind265aa, >3MXS_1|Chain... at 100%
3oppRCSB PDB    PDBbind286aa, >3OPP_1|Chain... at 99%
3oprRCSB PDB    PDBbind286aa, >3OPR_1|Chain... at 99%
4fcfRCSB PDB    PDBbind265aa, >4FCF_1|Chain... at 99%
4gd6RCSB PDB    PDBbind286aa, >4GD6_1|Chain... at 100%
4mbfRCSB PDB    PDBbind265aa, >4MBF_1|Chain... at 100%
4r3bRCSB PDB    PDBbind265aa, >4R3B_1|Chain... at 100%
4zamRCSB PDB    PDBbind265aa, >4ZAM_1|Chain... at 100%
5ee8RCSB PDB    PDBbind265aa, >5EE8_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID3mxr
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameSHV-1 beta-lactamase
Ligand NameCZ8
EC.Number E.C.3.5.2.6
Resolution 1.3(Å)
Affinity (Kd/Ki/IC50)Ki=11.3uM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2011) Antimicrob.Agents Chemother. Vol. 55: pp. 174-183
Ligand Properties
Formula C18H25BN4O7
Molecular Weight 420.225
Exact Mass 420.182
No. of atoms 55
No. of bonds 56
Polar Surface Area 159.51
LOGP Value 0.19      (Computed with XLOGP3)
-0.70      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 14
No. of Nitrogen and Oxygen Atoms: 11
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): P0AD64  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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