Browse entries in the PDBbind-CN Database

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Related entries of code: 4i7p
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4i7jRCSB PDB    PDBbind187aa, >4I7J_1|Chains... *
4i7kRCSB PDB    PDBbind187aa, >4I7K_1|Chains... at 100%
4i7lRCSB PDB    PDBbind187aa, >4I7L_1|Chains... at 100%
4i7mRCSB PDB    PDBbind187aa, >4I7M_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3kqmRCSB PDB    PDBbindES3
Entry Information
PDB ID4i7p
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameLysozyme (T21C, S38D, L99A, M102H, E108V, S117V, T142C, N144D mutation)
Ligand NameES3
EC.Number E.C.3.2.1.17
Resolution 1.6(Å)
Affinity (Kd/Ki/IC50)Kd=317uM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) J.Med.Chem. Vol. 56: pp. 2874-2884
Ligand Properties
Formula C3H3BrN2
Molecular Weight 146.973
Exact Mass 145.948
No. of atoms 9
No. of bonds 9
Polar Surface Area 28.68
LOGP Value 1.09      (Computed with XLOGP3)
1.17      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 1
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): P00720  
Entrez Gene IDNCBI Entrez Gene ID: 1258585  
ASDInformation of known allosteric effects of PDB entries
 
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