Browse entries in the PDBbind-CN Database

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Related entries of code: 2xu1
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1mhwRCSB PDB    PDBbind42aa, >1MHW_2|Chains... at 100%
2xu3RCSB PDB    PDBbind220aa, >2XU3_1|Chain... at 99%
2xu4RCSB PDB    PDBbind220aa, >2XU4_1|Chain... at 99%
2xu5RCSB PDB    PDBbind220aa, >2XU5_1|Chain... at 99%
2yj2RCSB PDB    PDBbind220aa, >2YJ2_1|Chain... at 99%
2yj8RCSB PDB    PDBbind220aa, >2YJ8_1|Chain... at 99%
2yj9RCSB PDB    PDBbind220aa, >2YJ9_1|Chain... at 99%
2yjbRCSB PDB    PDBbind220aa, >2YJB_1|Chain... at 99%
2yjcRCSB PDB    PDBbind220aa, >2YJC_1|Chain... at 99%
3bc3RCSB PDB    PDBbind220aa, >3BC3_1|Chains... at 99%
3h89RCSB PDB    PDBbind220aa, >3H89_1|Chains... at 99%
3h8bRCSB PDB    PDBbind220aa, >3H8B_1|Chains... at 99%
3h8cRCSB PDB    PDBbind220aa, >3H8C_1|Chains... at 99%
3hhaRCSB PDB    PDBbind220aa, >3HHA_1|Chains... at 100%
3hwnRCSB PDB    PDBbind258aa, >3HWN_1|Chains... *
3of8RCSB PDB    PDBbind221aa, >3OF8_1|Chain... at 99%
4axmRCSB PDB    PDBbind220aa, >4AXM_1|Chains... at 99%
5f02RCSB PDB    PDBbind220aa, >5F02_1|Chain... at 99%
5maeRCSB PDB    PDBbind220aa, >5MAE_1|Chain... at 99%
5majRCSB PDB    PDBbind220aa, >5MAJ_1|Chain... at 99%
5mqyRCSB PDB    PDBbind220aa, >5MQY_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2yjcRCSB PDB    PDBbind424
Entry Information
PDB ID2xu1
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCATHEPSIN L1
Ligand Name424
EC.Number E.C.3.4.22.15
Resolution 1.45(Å)
Affinity (Kd/Ki/IC50)IC50=0.022uM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) Angew.Chem.Int.Ed.Engl. Vol. 50: pp. 314-318
Ligand Properties
Formula C25H25Cl2N3O4S
Molecular Weight 534.455
Exact Mass 533.094
No. of atoms 60
No. of bonds 64
Polar Surface Area 115.78
LOGP Value 3.39      (Computed with XLOGP3)
5.28      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 5
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): P07711  
Entrez Gene IDNCBI Entrez Gene ID: 1514  
ASDInformation of known allosteric effects of PDB entries
 
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