Browse entries in the PDBbind-CN Database

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Related entries of code: 6cms
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3o5xRCSB PDB    PDBbind276aa, >3O5X_1|Chain... at 97%
3tkzRCSB PDB    PDBbind109aa, >3TKZ_1|Chain... at 96%
3tl0RCSB PDB    PDBbind109aa, >3TL0_1|Chain... at 96%
5ehpRCSB PDB    PDBbind526aa, >5EHP_1|Chains... at 99%
5ehrRCSB PDB    PDBbind526aa, >5EHR_1|Chains... at 99%
5xzrRCSB PDB    PDBbind557aa, >5XZR_1|Chain... *
6bmrRCSB PDB    PDBbind526aa, >6BMR_1|Chains... at 99%
6bmvRCSB PDB    PDBbind526aa, >6BMV_1|Chains... at 99%
6bmxRCSB PDB    PDBbind526aa, >6BMX_1|Chains... at 99%
6cmrRCSB PDB    PDBbind532aa, >6CMR_1|Chain... at 99%
6mdcRCSB PDB    PDBbind526aa, >6MDC_1|Chains... at 99%
6mdbRCSB PDB    PDBbind526aa, >6MDB_1|Chains... at 99%
6md7RCSB PDB    PDBbind526aa, >6MD7_1|Chains... at 99%
6mddRCSB PDB    PDBbind526aa, >6MDD_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
5ehrRCSB PDB    PDBbind5OD
6cmrRCSB PDB    PDBbind5OD
Entry Information
PDB ID6cms
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameTyrosine-protein phosphatase non-receptor type 11
Ligand Name5OD
EC.Number E.C.-.-.-.-
Resolution 2.68(Å)
Affinity (Kd/Ki/IC50)Kd=1.5uM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) Nat Commun Vol. 9: pp. 4507-4507
Ligand Properties
Formula C16H20Cl2N5
Molecular Weight 353.270
Exact Mass 352.110
No. of atoms 43
No. of bonds 45
Polar Surface Area 82.68
LOGP Value 2.61      (Computed with XLOGP3)
3.28      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 5
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): Q06124  
Entrez Gene IDNCBI Entrez Gene ID: 5781  
ASDInformation of known allosteric effects of PDB entries
 
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