Browse entries in the PDBbind-CN Database

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Related entries of code: 3pn1
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4ucoRCSB PDB    PDBbind324aa, >4UCO_1|Chain... *
4ucrRCSB PDB    PDBbind324aa, >4UCR_1|Chain... at 100%
4ucsRCSB PDB    PDBbind324aa, >4UCS_1|Chain... at 100%
4uctRCSB PDB    PDBbind324aa, >4UCT_1|Chain... at 100%
4ucuRCSB PDB    PDBbind324aa, >4UCU_1|Chain... at 100%
4ucvRCSB PDB    PDBbind324aa, >4UCV_1|Chain... at 100%
4ufzRCSB PDB    PDBbind324aa, >4UFZ_1|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 ID3pn1
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameDNA ligase, LigA
Ligand NameIVH
EC.Number E.C.6.5.1.2
Resolution 2(Å)
Affinity (Kd/Ki/IC50)Ki=110nM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) Antimicrob.Agents Chemother. Vol. 55: pp. 1088-1096
Ligand Properties
Formula C14H21N5O4S
Molecular Weight 355.413
Exact Mass 355.131
No. of atoms 45
No. of bonds 47
Polar Surface Area 164.84
LOGP Value 0.19      (Computed with XLOGP3)
0.49      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 9
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): P43813  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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