Browse entries in the PDBbind-CN Database

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Related entries of code: 3hb8
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1hvyRCSB PDB    PDBbind288aa, >1HVY_1|Chains... at 100%
1i00RCSB PDB    PDBbind290aa, >1I00_1|Chains... at 97%
1jujRCSB PDB    PDBbind313aa, >1JUJ_1|Chains... at 99%
2onbRCSB PDB    PDBbind313aa, >2ONB_1|Chain... at 100%
3h9kRCSB PDB    PDBbind313aa, >3H9K_1|Chains... at 99%
3n5eRCSB PDB    PDBbind325aa, >3N5E_1|Chain... at 100%
4e28RCSB PDB    PDBbind325aa, >4E28_1|Chain... at 100%
4fgtRCSB PDB    PDBbind325aa, >4FGT_1|Chain... at 99%
6pf6RCSB PDB    PDBbind290aa, >6PF6_1|Chains... at 97%
6pf5RCSB PDB    PDBbind290aa, >6PF5_1|Chains... at 97%
6pf4RCSB PDB    PDBbind290aa, >6PF4_1|Chains... at 97%
6pf3RCSB PDB    PDBbind290aa, >6PF3_1|Chains... at 97%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1bp0RCSB PDB    PDBbindUMP
1jmfRCSB PDB    PDBbindUMP
1jmgRCSB PDB    PDBbindUMP
1jmiRCSB PDB    PDBbindUMP
1njbRCSB PDB    PDBbindUMP
1njdRCSB PDB    PDBbindUMP
1tsvRCSB PDB    PDBbindUMP
1tsyRCSB PDB    PDBbindUMP
2yazRCSB PDB    PDBbindUMP

Entry Information
PDB ID3hb8
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHuman thymidylate synthase R163K
Ligand NameUMP
EC.Number E.C.
Resolution 2.74(Å)
Affinity (Kd/Ki/IC50)Kd=7.5uM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2011) Acta Crystallogr.,Sect.D Vol. 67: pp. 60-66
Ligand Properties
Formula C9H14N2O8P
Molecular Weight 309.190
Exact Mass 309.049
No. of atoms 34
No. of bonds 35
Polar Surface Area 167.83
LOGP Value -3.14      (Computed with XLOGP3)
-2.14      (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): P04818  
Entrez Gene IDNCBI Entrez Gene ID: 7298  
ASDInformation of known allosteric effects of PDB entries

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