Browse entries in the PDBbind-CN Database

Display Options: Structure:  

Goto PDB code:

3D presentation of molecule is powered by 3Dmol, which supports all modern browsers and mobile devices via WebGL.

Hold mouse button: left to rotate,middle to shift,right to zoom

Related entries of code: 3h9k
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%
3hb8RCSB PDB    PDBbind313aa, >3HB8_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
6qxsRCSB PDB    PDBbindUFP

Entry Information
PDB ID3h9k
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehuman Thymidylate synthase (TS) R163K
Ligand NameUFP
EC.Number E.C.
Resolution 2.65(Å)
Affinity (Kd/Ki/IC50)Ki=14nM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2012) J. Med. Chem., Vol.55, pp.10272-10276
Ligand Properties
Formula C9H13FN2O8P
Molecular Weight 327.180
Exact Mass 327.039
No. of atoms 34
No. of bonds 35
Polar Surface Area 167.83
LOGP Value -2.83      (Computed with XLOGP3)
-2.00      (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

This site has been visited times since Nov 2007.

Copyright ©2007-2024    涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃    缃戠珯澶囨鍙凤細娌狪CP澶2021015625鍙-3    娌叕缃戝畨澶囷細姝e湪鐢宠涓

Technical Support锛堟妧鏈敮鎸侊級: