Browse entries in the PDBbind-CN Database

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Related entries of code: 1xgj
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%
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%
4e3jRCSB PDB    PDBbind358aa, >4E3J_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 ID1xgj
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namebeta-lactamase
Ligand NameHTC
EC.Number E.C.3.5.2.6
Resolution 1.97(Å)
Affinity (Kd/Ki/IC50)Ki=1.0uM
Release Year2005
Protein/NA SequenceCheck fasta file
Primary Reference J.Am.Chem.Soc. v127 pp. 4632-9, 2005
Ligand Properties
Formula C12H9NO7S2
Molecular Weight 343.332
Exact Mass 342.982
No. of atoms 31
No. of bonds 32
Polar Surface Area 177.62
LOGP Value 3.03      (Computed with XLOGP3)
2.80      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 8
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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