Browse entries in the PDBbind-CN Database

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Related entries of code: 4ool
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4kqoRCSB PDB    PDBbind564aa, >4KQO_1|Chains... *
4kqqRCSB PDB    PDBbind564aa, >4KQQ_1|Chains... at 100%
4kqrRCSB PDB    PDBbind564aa, >4KQR_1|Chains... at 100%
4l0lRCSB PDB    PDBbind537aa, >4L0L_1|Chain... at 98%
6un1RCSB PDB    PDBbind533aa, >6UN1_1|Chain... at 99%
6un3RCSB PDB    PDBbind533aa, >6UN3_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 ID4ool
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCell division protein FtsI [Peptidoglycan synthetase] PBP3
Ligand Name2U2
EC.Number E.C.2.4.1.129
Resolution 2.3(Å)
Affinity (Kd/Ki/IC50)IC50=0.14uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) J.Med.Chem. Vol. 57: pp. 3845-3855
Ligand Properties
Formula C19H20N6O11S
Molecular Weight 540.461
Exact Mass 540.091
No. of atoms 57
No. of bonds 58
Polar Surface Area 293.56
LOGP Value 1.26      (Computed with XLOGP3)
-0.27      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 15
No. of Nitrogen and Oxygen Atoms: 17
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 ACNo matched UniProt accession number (AC) found!
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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