Browse entries in the PDBbind-CN Database

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Related entries of code: 4wop
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
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%
6czeRCSB PDB    PDBbind235aa, >6CZE_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
1wvcRCSB PDB    PDBbindCTP
2ad5RCSB PDB    PDBbindCTP
5eomRCSB PDB    PDBbindCTP
6cveRCSB PDB    PDBbindCTP
6e05RCSB PDB    PDBbindCTP
6e06RCSB PDB    PDBbindCTP
6pk7RCSB PDB    PDBbindCTP
6ak6RCSB PDB    PDBbindCTP
Entry Information
PDB ID4wop
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameMycobacterium tuberculosis Dethiobiotin Synthetase, DTBS
Ligand NameCTP
EC.Number E.C.6.3.3.3
Resolution 2.39(Å)
Affinity (Kd/Ki/IC50)Kd=17.2uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Tuberculosis (Edinb) Vol. 95: pp. 259-266
Ligand Properties
Formula C9H19N3O14P3
Molecular Weight 486.180
Exact Mass 486.008
No. of atoms 48
No. of bonds 49
Polar Surface Area 321.4
LOGP Value -6.38      (Computed with XLOGP3)
-3.60      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 17
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): P9WPQ5  
Entrez Gene IDNCBI Entrez Gene ID: 886338  
ASDInformation of known allosteric effects of PDB entries
 
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