Browse entries in the PDBbind-CN Database

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Related entries of code: 5drr
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2vesRCSB PDB    PDBbind299aa, >2VES_1|Chains... at 99%
3u1yRCSB PDB    PDBbind299aa, >3U1Y_1|Chains... at 99%
3uhmRCSB PDB    PDBbind299aa, >3UHM_1|Chain... at 99%
4j3dRCSB PDB    PDBbind297aa, >4J3D_1|Chains... at 99%
4lchRCSB PDB    PDBbind299aa, >4LCH_1|Chain... at 99%
4okgRCSB PDB    PDBbind299aa, >4OKG_1|Chains... at 99%
5drqRCSB PDB    PDBbind299aa, >5DRQ_1|Chain... at 99%
5u3bRCSB PDB    PDBbind299aa, >5U3B_1|Chains... at 99%
6mooRCSB PDB    PDBbind305aa, >6MOO_1|Chain... *
6modRCSB PDB    PDBbind304aa, >6MOD_1|Chain... at 98%
6mo5RCSB PDB    PDBbind304aa, >6MO5_1|Chain... at 98%
6mo4RCSB PDB    PDBbind303aa, >6MO4_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID5drr
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NamePseudomonas aeruginosa LpxC
Ligand Name5EN
EC.Number E.C.3.5.1
Resolution 1.59(Å)
Affinity (Kd/Ki/IC50)Ki=3.5pM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Nat Commun Vol. 7: pp. 10638-10638
Ligand Properties
Formula C22H17F2N3O4
Molecular Weight 425.385
Exact Mass 425.119
No. of atoms 48
No. of bonds 49
Polar Surface Area 121.85
LOGP Value 2.71      (Computed with XLOGP3)
3.05      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 7
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): P47205  
Entrez Gene IDNCBI Entrez Gene ID: 881292  
ASDInformation of known allosteric effects of PDB entries
 
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