Browse entries in the PDBbind-CN Database

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Related entries of code: 6nnr
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1f4eRCSB PDB    PDBbind264aa, >1F4E_1|Chain... at 100%
1f4fRCSB PDB    PDBbind264aa, >1F4F_1|Chains... at 100%
1f4gRCSB PDB    PDBbind264aa, >1F4G_1|Chains... at 100%
1jg0RCSB PDB    PDBbind264aa, >1JG0_1|Chains... at 99%
1jtqRCSB PDB    PDBbind264aa, >1JTQ_1|Chains... at 100%
1jutRCSB PDB    PDBbind264aa, >1JUT_1|Chains... at 100%
1tysRCSB PDB    PDBbind264aa, >1TYS_1|Chain... at 99%
2kceRCSB PDB    PDBbind264aa, >2KCE_1|Chains... at 100%
4lrrRCSB PDB    PDBbind265aa, >4LRR_1|Chain... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID6nnr
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameThymidylate synthase
Ligand NameUMC
EC.Number E.C.2.1.1.45
Resolution 1.3(Å)
Affinity (Kd/Ki/IC50)Kd=8.5uM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) J.Am.Chem.Soc. Vol. 135: pp. 7583-7592
Ligand Properties
Formula C9H16N2O8P
Molecular Weight 311.206
Exact Mass 311.064
No. of atoms 36
No. of bonds 37
Polar Surface Area 162.38
LOGP Value -3.31      (Computed with XLOGP3)
-1.66      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 10
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): P0A884  
Entrez Gene IDNCBI Entrez Gene ID: 61754179  949035  
ASDInformation of known allosteric effects of PDB entries

 
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