Browse entries in the PDBbind-CN Database

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Related entries of code: 3opp
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1ongRCSB PDB    PDBbind265aa, >1ONG_1|Chain... at 100%
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%
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
3oprRCSB PDB    PDBbindSA2

Entry Information
PDB ID3opp
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameBeta-lactamase SHV-1
Ligand NameSA2
EC.Number E.C.3.5.2.6
Resolution 1.8(Å)
Affinity (Kd/Ki/IC50)Ki=0.53uM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) Antimicrob.Agents Chemother. Vol. 55: pp. 2303-2309
Ligand Properties
Formula C13H21NO9S
Molecular Weight 367.372
Exact Mass 367.094
No. of atoms 45
No. of bonds 44
Polar Surface Area 209.59
LOGP Value 1.05      (Computed with XLOGP3)
0.60      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 0
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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