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Related entries of code: 2ews
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4m7xRCSB PDB    PDBbind273aa, >4M7X_1|Chain... at 97%
4m7yRCSB PDB    PDBbind273aa, >4M7Y_1|Chains... at 97%
5elzRCSB PDB    PDBbind273aa, >5ELZ_1|Chain... at 97%
5jicRCSB PDB    PDBbind273aa, >5JIC_1|Chain... at 97%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1bxrRCSB PDB    PDBbindANP
2a29RCSB PDB    PDBbindANP
2ou7RCSB PDB    PDBbindANP
3g3rRCSB PDB    PDBbindANP
3x1kRCSB PDB    PDBbindANP
4axdRCSB PDB    PDBbindANP
4aywRCSB PDB    PDBbindANP
4fl1RCSB PDB    PDBbindANP
4fl2RCSB PDB    PDBbindANP
4fl3RCSB PDB    PDBbindANP
4kp4RCSB PDB    PDBbindANP
4ockRCSB PDB    PDBbindANP
4ocvRCSB PDB    PDBbindANP
4pl0RCSB PDB    PDBbindANP
4qhtRCSB PDB    PDBbindANP
5ybiRCSB PDB    PDBbindANP
6bs5RCSB PDB    PDBbindANP
Entry Information
PDB ID2ews
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NamePantothenate kinase
Ligand NameANP
EC.Number E.C.2.7.1.33
Resolution 2.05(Å)
Affinity (Kd/Ki/IC50)Kd=0.24uM
Release Year2006
Protein/NA SequenceCheck fasta file
Primary Reference Structure. 2006, 14, 1251-1261.
Ligand Properties
Formula C10H20N6O12P3
Molecular Weight 509.220
Exact Mass 509.035
No. of atoms 51
No. of bonds 53
Polar Surface Area 332.18
LOGP Value -6.35      (Computed with XLOGP3)
-2.40      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 12
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): Q6G7I0  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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