Browse entries in the PDBbind-CN Database

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Related entries of code: 1ong
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3d4fRCSB PDB    PDBbind286aa, >3D4F_1|Chain... *
3mkeRCSB PDB    PDBbind265aa, >3MKE_1|Chain... at 100%
3mkfRCSB PDB    PDBbind265aa, >3MKF_1|Chain... at 100%
3mxrRCSB PDB    PDBbind265aa, >3MXR_1|Chain... at 100%
3mxsRCSB PDB    PDBbind265aa, >3MXS_1|Chain... at 100%
3oppRCSB PDB    PDBbind286aa, >3OPP_1|Chain... at 99%
3oprRCSB PDB    PDBbind286aa, >3OPR_1|Chain... at 99%
4fcfRCSB PDB    PDBbind265aa, >4FCF_1|Chain... at 99%
4gd6RCSB PDB    PDBbind286aa, >4GD6_1|Chain... at 100%
4mbfRCSB PDB    PDBbind265aa, >4MBF_1|Chain... at 100%
4r3bRCSB PDB    PDBbind265aa, >4R3B_1|Chain... at 100%
4zamRCSB PDB    PDBbind265aa, >4ZAM_1|Chain... at 100%
5ee8RCSB PDB    PDBbind265aa, >5EE8_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1onhRCSB PDB    PDBbindWY4

Entry Information
PDB ID1ong
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namebeta-lactamase shv-1
Ligand NameWY4
EC.Number E.C.3.5.2.6
Resolution 1.1(Å)
Affinity (Kd/Ki/IC50)IC50=9nM
Release Year2003
Protein/NA SequenceCheck fasta file
Primary Reference Biochemistry v42 pp. 13152-9, 2003
Ligand Properties
Formula C13H13N3O4S
Molecular Weight 307.325
Exact Mass 307.063
No. of atoms 34
No. of bonds 36
Polar Surface Area 119.08
LOGP Value -0.44      (Computed with XLOGP3)
0.45      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 7
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): P0AD64  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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