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Related entries of code: 3lxe
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1azmRCSB PDB    PDBbind260aa, >1AZM_1|Chain... at 100%
2foyRCSB PDB    PDBbind260aa, >2FOY_1|Chains... at 100%
2it4RCSB PDB    PDBbind256aa, >2IT4_1|Chains... at 100%
2nmxRCSB PDB    PDBbind260aa, >2NMX_1|Chains... at 100%
2nn1RCSB PDB    PDBbind260aa, >2NN1_1|Chains... at 100%
2nn7RCSB PDB    PDBbind260aa, >2NN7_1|Chains... at 100%
4wr7RCSB PDB    PDBbind260aa, >4WR7_1|Chains... at 99%
4wupRCSB PDB    PDBbind260aa, >4WUP_1|Chains... at 99%
5e2mRCSB PDB    PDBbind260aa, >5E2M_1|Chains... at 99%
5gmmRCSB PDB    PDBbind261aa, >5GMM_1|Chains... *
6evrRCSB PDB    PDBbind261aa, >6EVR_1|Chains... at 100%
6ex1RCSB PDB    PDBbind261aa, >6EX1_1|Chains... at 100%
6f3bRCSB PDB    PDBbind261aa, >6F3B_1|Chains... at 100%
6fafRCSB PDB    PDBbind261aa, >6FAF_1|Chains... at 100%
6g3vRCSB PDB    PDBbind261aa, >6G3V_1|Chains... at 100%
6hwzRCSB PDB    PDBbind261aa, >6HWZ_1|Chains... at 100%
6fagRCSB PDB    PDBbind261aa, >6FAG_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3hkuRCSB PDB    PDBbindTOR
5jnaRCSB PDB    PDBbindTOR
Entry Information
PDB ID3lxe
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameHuman Carbonic Anhydrase I
Ligand NameTOR
EC.Number E.C.4.2.1.1
Resolution 1.9(Å)
Affinity (Kd/Ki/IC50)Ki=250nM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference Org.Biomol.Chem. 8, 3528-3533
Ligand Properties
Formula C12H21NO8S
Molecular Weight 339.362
Exact Mass 339.099
No. of atoms 43
No. of bonds 45
Polar Surface Area 123.92
LOGP Value -0.83      (Computed with XLOGP3)
1.39      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 9
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): P00915  
Entrez Gene IDNCBI Entrez Gene ID: 759  
ASDInformation of known allosteric effects of PDB entries
 
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