Browse entries in the PDBbind-CN Database

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Related entries of code: 2wd7
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3bmnRCSB PDB    PDBbind288aa, >3BMN_2|Chains... at 100%
3bmoRCSB PDB    PDBbind288aa, >3BMO_2|Chain... at 100%
3bmqRCSB PDB    PDBbind288aa, >3BMQ_2|Chains... at 100%
3jq7RCSB PDB    PDBbind288aa, >3JQ7_2|Chain... at 100%
3jq8RCSB PDB    PDBbind288aa, >3JQ8_2|Chains... at 100%
3jq9RCSB PDB    PDBbind288aa, >3JQ9_2|Chains... at 100%
3jqaRCSB PDB    PDBbind288aa, >3JQA_3|Chain... at 100%
3jqbRCSB PDB    PDBbind288aa, >3JQB_2|Chain... at 100%
3jqfRCSB PDB    PDBbind288aa, >3JQF_2|Chain... at 100%
3jqgRCSB PDB    PDBbind288aa, >3JQG_2|Chains... at 100%
4wcfRCSB PDB    PDBbind268aa, >4WCF_3|Chain... at 100%
5izcRCSB PDB    PDBbind268aa, >5IZC_1|Chains... at 100%
5jcjRCSB PDB    PDBbind288aa, >5JCJ_2|Chain... at 100%
5jdcRCSB PDB    PDBbind288aa, >5JDC_2|Chain... at 100%
5jdiRCSB PDB    PDBbind288aa, >5JDI_2|Chain... at 100%
5k6aRCSB PDB    PDBbind288aa, >5K6A_2|Chain... at 100%
6gclRCSB PDB    PDBbind288aa, >6GCL_2|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3kr1RCSB PDB    PDBbindVGD
Entry Information
PDB ID2wd7
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePTERIDINE REDUCTASE 1 (PTR1) FROM TRYPANOSOMA BRUCEI
Ligand NameVGD
EC.Number E.C.1.5.1.33
Resolution 1.9(Å)
Affinity (Kd/Ki/IC50)Ki=10.6uM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2009) J.Med.Chem. -4465
Ligand Properties
Formula C7H6ClN3
Molecular Weight 167.596
Exact Mass 167.025
No. of atoms 17
No. of bonds 18
Polar Surface Area 54.7
LOGP Value 1.77      (Computed with XLOGP3)
2.38      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 3
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): O76290  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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