Browse entries in the PDBbind-CN Database

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Related entries of code: 5mrm
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2yc3RCSB PDB    PDBbind228aa, >2YC3_1|Chain... *
2yc5RCSB PDB    PDBbind228aa, >2YC5_1|Chain... at 100%
2ycmRCSB PDB    PDBbind227aa, >2YCM_1|Chain... at 100%
4nakRCSB PDB    PDBbind228aa, >4NAK_1|Chain... at 100%
4nalRCSB PDB    PDBbind228aa, >4NAL_1|Chain... at 100%
4nanRCSB PDB    PDBbind228aa, >4NAN_1|Chain... at 100%
5mroRCSB PDB    PDBbind228aa, >5MRO_1|Chain... at 99%
5mrpRCSB PDB    PDBbind228aa, >5MRP_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID5mrm
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameIspD
Ligand NameQ9T
EC.Number E.C.2.7.7.60
Resolution 1.8(Å)
Affinity (Kd/Ki/IC50)Kd=9.3uM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) ACS Chem. Biol. Vol. 12: pp. 2132-2138
Ligand Properties
Formula C10H4Br2F3NO2
Molecular Weight 386.947
Exact Mass 384.856
No. of atoms 22
No. of bonds 23
Polar Surface Area 46.26
LOGP Value 3.98      (Computed with XLOGP3)
4.59      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 3
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): P69834  
Entrez Gene IDNCBI Entrez Gene ID: 814779  
ASDInformation of known allosteric effects of PDB entries

 
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