Browse entries in the PDBbind-CN Database

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Related entries of code: 4umc
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4hsoRCSB PDB    PDBbind351aa, >4HSO_1|Chains... *
4uc5RCSB PDB    PDBbind351aa, >4UC5_1|Chains... at 99%
4umaRCSB PDB    PDBbind351aa, >4UMA_1|Chains... at 99%
4umbRCSB PDB    PDBbind351aa, >4UMB_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3fj7RCSB PDB    PDBbindPEQ

Entry Information
PDB ID4umc
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NamePHOSPHO-2-DEHYDRO-3-DEOXYHEPTONATE ALDOLASE DAH7PS
Ligand NamePEQ
EC.Number E.C.2.5.1.54
Resolution 2.34(Å)
Affinity (Kd/Ki/IC50)Ki=360uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Bioorg.Chem. Vol. 57: pp. 242-250
Ligand Properties
Formula C3H8O6P
Molecular Weight 171.066
Exact Mass 171.006
No. of atoms 18
No. of bonds 17
Polar Surface Area 120.81
LOGP Value -0.84      (Computed with XLOGP3)
-0.87      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 0
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): Q9K169  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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