Browse entries in the PDBbind-CN Database

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Related entries of code: 1mdl
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1mnsRCSB PDB    PDBbind357aa, >1MNS_1|Chain... at 100%
3uxkRCSB PDB    PDBbind383aa, >3UXK_1|Chains... *
3uxlRCSB PDB    PDBbind383aa, >3UXL_1|Chains... at 100%
4fp1RCSB PDB    PDBbind383aa, >4FP1_1|Chains... at 100%
4hncRCSB PDB    PDBbind383aa, >4HNC_1|Chains... at 99%
4m6uRCSB PDB    PDBbind383aa, >4M6U_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1mczRCSB PDB    PDBbindRMN

Entry Information
PDB ID1mdl
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePseudomonas aeruginosa MANDELATE RACEMASE MUTANT K166R
Ligand NameRMN
EC.Number E.C.5.1.2.2
Resolution 1.85(Å)
Affinity (Kd/Ki/IC50)Ki=810uM
Release Year1996
Protein/NA SequenceCheck fasta file
Primary Reference (2007) Bioorg. Med. Chem. Lett., Vol.17, pp.105-108
Ligand Properties
Formula C8H8O3
Molecular Weight 152.147
Exact Mass 152.047
No. of atoms 19
No. of bonds 19
Polar Surface Area 57.53
LOGP Value 1.72      (Computed with XLOGP3)
0.80      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 1
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): P11444  
Entrez Gene IDNCBI Entrez Gene ID: 45526288  
ASDInformation of known allosteric effects of PDB entries

 
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