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Related entries of code: 3m3z
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3ldqRCSB PDB    PDBbind114aa, >3LDQ_2|Chain... at 99%
5aqfRCSB PDB    PDBbind118aa, >5AQF_2|Chains... *
5aqgRCSB PDB    PDBbind118aa, >5AQG_2|Chains... at 100%
5aqhRCSB PDB    PDBbind118aa, >5AQH_2|Chain... at 100%
5aqjRCSB PDB    PDBbind118aa, >5AQJ_2|Chains... at 100%
5aqkRCSB PDB    PDBbind118aa, >5AQK_2|Chain... at 100%
5aqnRCSB PDB    PDBbind118aa, >5AQN_2|Chains... at 100%
5aqoRCSB PDB    PDBbind118aa, >5AQO_2|Chains... at 100%
5aqpRCSB PDB    PDBbind118aa, >5AQP_2|Chains... at 100%
5aqqRCSB PDB    PDBbind118aa, >5AQQ_2|Chains... at 100%
5aqrRCSB PDB    PDBbind118aa, >5AQR_2|Chains... at 100%
5aqtRCSB PDB    PDBbind118aa, >5AQT_2|Chain... at 100%
5aquRCSB PDB    PDBbind118aa, >5AQU_2|Chain... at 100%
5aqvRCSB PDB    PDBbind118aa, >5AQV_2|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 ID3m3z
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameHeat shock cognate 71 kDa protein, Hsc70
Ligand Name3F5
EC.Number E.C.-.-.-.-
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)Ki=1.85uM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) J.Med.Chem. Vol. 54: pp. 4034-4041
Ligand Properties
Formula C13H19N7O5
Molecular Weight 353.334
Exact Mass 353.145
No. of atoms 44
No. of bonds 46
Polar Surface Area 183.66
LOGP Value -2.66      (Computed with XLOGP3)
-1.07      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 12
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): P11142  Q99933  
Entrez Gene IDNCBI Entrez Gene ID: 3312  573  
ASDInformation of known allosteric effects of PDB entries

 
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