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Related entries of code: 4e3j
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1c3bRCSB PDB    PDBbind358aa, >1C3B_1|Chains... *
1fswRCSB PDB    PDBbind358aa, >1FSW_1|Chains... at 99%
1fsyRCSB PDB    PDBbind358aa, >1FSY_1|Chains... at 99%
1ga9RCSB PDB    PDBbind358aa, >1GA9_1|Chains... at 100%
1iemRCSB PDB    PDBbind358aa, >1IEM_1|Chains... at 100%
1kdsRCSB PDB    PDBbind358aa, >1KDS_1|Chains... at 100%
1kdwRCSB PDB    PDBbind358aa, >1KDW_1|Chains... at 100%
1ke0RCSB PDB    PDBbind358aa, >1KE0_1|Chains... at 100%
1ke3RCSB PDB    PDBbind358aa, >1KE3_1|Chains... at 100%
1l2sRCSB PDB    PDBbind358aa, >1L2S_1|Chains... at 100%
1llbRCSB PDB    PDBbind358aa, >1LLB_1|Chains... at 100%
1mxoRCSB PDB    PDBbind358aa, >1MXO_1|Chains... at 100%
1my8RCSB PDB    PDBbind358aa, >1MY8_1|Chains... at 100%
1pi4RCSB PDB    PDBbind358aa, >1PI4_1|Chains... at 99%
1pi5RCSB PDB    PDBbind358aa, >1PI5_1|Chains... at 99%
1xgiRCSB PDB    PDBbind358aa, >1XGI_1|Chains... at 100%
1xgjRCSB PDB    PDBbind358aa, >1XGJ_1|Chains... at 100%
2hdqRCSB PDB    PDBbind358aa, >2HDQ_1|Chains... at 100%
2hdrRCSB PDB    PDBbind358aa, >2HDR_1|Chains... at 100%
2hdsRCSB PDB    PDBbind358aa, >2HDS_1|Chains... at 100%
2hduRCSB PDB    PDBbind358aa, >2HDU_1|Chains... at 100%
2i72RCSB PDB    PDBbind358aa, >2I72_1|Chains... at 100%
2pu2RCSB PDB    PDBbind358aa, >2PU2_1|Chains... at 100%
2r9wRCSB PDB    PDBbind358aa, >2R9W_1|Chains... at 100%
2r9xRCSB PDB    PDBbind358aa, >2R9X_1|Chains... at 100%
2rcxRCSB PDB    PDBbind358aa, >2RCX_1|Chains... at 100%
3blsRCSB PDB    PDBbind358aa, >3BLS_1|Chains... at 100%
3bm6RCSB PDB    PDBbind358aa, >3BM6_1|Chains... at 100%
3fkvRCSB PDB    PDBbind358aa, >3FKV_1|Chains... at 99%
3gqzRCSB PDB    PDBbind358aa, >3GQZ_1|Chains... at 100%
3gr2RCSB PDB    PDBbind358aa, >3GR2_1|Chains... at 100%
3grjRCSB PDB    PDBbind358aa, >3GRJ_1|Chains... at 100%
3gsgRCSB PDB    PDBbind358aa, >3GSG_1|Chains... at 100%
3gtcRCSB PDB    PDBbind358aa, >3GTC_1|Chains... at 100%
3gv9RCSB PDB    PDBbind358aa, >3GV9_1|Chains... at 100%
3gvbRCSB PDB    PDBbind358aa, >3GVB_1|Chains... at 100%
3ixgRCSB PDB    PDBbind358aa, >3IXG_1|Chains... at 99%
3o86RCSB PDB    PDBbind358aa, >3O86_1|Chains... at 100%
3o87RCSB PDB    PDBbind358aa, >3O87_1|Chains... at 100%
3o88RCSB PDB    PDBbind358aa, >3O88_1|Chains... at 100%
4e3iRCSB PDB    PDBbind358aa, >4E3I_1|Chains... at 100%
4e3kRCSB PDB    PDBbind358aa, >4E3K_1|Chains... at 100%
4e3lRCSB PDB    PDBbind358aa, >4E3L_1|Chains... at 100%
4e3mRCSB PDB    PDBbind358aa, >4E3M_1|Chains... at 100%
4e3nRCSB PDB    PDBbind358aa, >4E3N_1|Chains... at 100%
4e3oRCSB PDB    PDBbind358aa, >4E3O_1|Chains... at 100%
4jxsRCSB PDB    PDBbind358aa, >4JXS_1|Chains... at 100%
4jxvRCSB PDB    PDBbind358aa, >4JXV_1|Chains... at 100%
4jxwRCSB PDB    PDBbind358aa, >4JXW_1|Chains... at 100%
4kz3RCSB PDB    PDBbind358aa, >4KZ3_1|Chains... at 100%
4kz4RCSB PDB    PDBbind358aa, >4KZ4_1|Chains... at 100%
4kz5RCSB PDB    PDBbind358aa, >4KZ5_1|Chains... at 100%
4kz6RCSB PDB    PDBbind358aa, >4KZ6_1|Chains... at 100%
4kz7RCSB PDB    PDBbind358aa, >4KZ7_1|Chains... at 100%
4kz8RCSB PDB    PDBbind358aa, >4KZ8_1|Chains... at 100%
4kzaRCSB PDB    PDBbind358aa, >4KZA_1|Chains... at 100%
4kzbRCSB PDB    PDBbind358aa, >4KZB_1|Chains... at 100%
4lv1RCSB PDB    PDBbind358aa, >4LV1_1|Chains... at 100%
4lv2RCSB PDB    PDBbind358aa, >4LV2_1|Chains... at 100%
4lv3RCSB PDB    PDBbind358aa, >4LV3_1|Chains... at 100%
4okpRCSB PDB    PDBbind358aa, >4OKP_1|Chains... at 100%
4oldRCSB PDB    PDBbind358aa, >4OLD_1|Chains... at 100%
6dpzRCSB PDB    PDBbind358aa, >6DPZ_1|Chains... at 100%
6dpyRCSB PDB    PDBbind358aa, >6DPY_1|Chains... at 100%
6dpxRCSB PDB    PDBbind358aa, >6DPX_1|Chains... at 100%
6dptRCSB PDB    PDBbind358aa, >6DPT_1|Chains... 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 ID4e3j
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameBeta-lactamase
Ligand Name0N4
EC.Number E.C.3.5.2.6
Resolution 1.8(Å)
Affinity (Kd/Ki/IC50)Ki=1.2nM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Proc.Natl.Acad.Sci.USA Vol. 109: pp. 17448-17453
Ligand Properties
Formula C8H10BN5O4S
Molecular Weight 283.072
Exact Mass 283.055
No. of atoms 29
No. of bonds 30
Polar Surface Area 149.47
LOGP Value -0.89      (Computed with XLOGP3)
0.05      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 9
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): P00811  
Entrez Gene IDNCBI Entrez Gene ID: 948669  
ASDInformation of known allosteric effects of PDB entries
 
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