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Related entries of code: 6cze
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4wopRCSB PDB    PDBbind225aa, >4WOP_1|Chains... at 99%
6cveRCSB PDB    PDBbind235aa, >6CVE_1|Chains... *
6cvfRCSB PDB    PDBbind235aa, >6CVF_1|Chains... at 100%
6cvvRCSB PDB    PDBbind235aa, >6CVV_1|Chains... at 100%
6czbRCSB PDB    PDBbind235aa, >6CZB_1|Chains... at 100%
6czcRCSB PDB    PDBbind235aa, >6CZC_1|Chains... at 100%
6czdRCSB PDB    PDBbind235aa, >6CZD_1|Chains... at 100%
6e05RCSB PDB    PDBbind235aa, >6E05_1|Chains... at 100%
6e06RCSB PDB    PDBbind235aa, >6E06_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 ID6cze
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameATP-dependent dethiobiotin synthetase BioD
Ligand NameITT
EC.Number E.C.6.3.3.3
Resolution 2.3(Å)
Affinity (Kd/Ki/IC50)Kd=93uM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) Acs Catalysis Vol. 8(11): pp. 10774-10783
Ligand Properties
Formula C10H18N4O14P3
Molecular Weight 511.190
Exact Mass 511.003
No. of atoms 49
No. of bonds 51
Polar Surface Area 323.33
LOGP Value -6.31      (Computed with XLOGP3)
-3.23      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 11
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 18
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): P9WPQ5  
Entrez Gene IDNCBI Entrez Gene ID: 886338  
ASDInformation of known allosteric effects of PDB entries

 
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