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: 4q1b
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3ipxRCSB PDB    PDBbind241aa, >3IPX_1|Chain... at 99%
3ipyRCSB PDB    PDBbind241aa, >3IPY_1|Chains... at 99%
4jljRCSB PDB    PDBbind280aa, >4JLJ_1|Chains... at 95%
4jlmRCSB PDB    PDBbind280aa, >4JLM_1|Chains... at 95%
4jlnRCSB PDB    PDBbind280aa, >4JLN_1|Chains... at 95%
4kcgRCSB PDB    PDBbind280aa, >4KCG_1|Chains... at 95%
4q18RCSB PDB    PDBbind280aa, >4Q18_1|Chains... at 95%
4q19RCSB PDB    PDBbind280aa, >4Q19_1|Chains... at 95%
4q1aRCSB PDB    PDBbind280aa, >4Q1A_1|Chains... at 95%
4q1cRCSB PDB    PDBbind280aa, >4Q1C_1|Chains... at 95%
4q1dRCSB PDB    PDBbind280aa, >4Q1D_1|Chains... at 95%
4q1eRCSB PDB    PDBbind280aa, >4Q1E_1|Chains... at 95%
4q1fRCSB PDB    PDBbind280aa, >4Q1F_1|Chains... at 95%
5mqlRCSB PDB    PDBbind289aa, >5MQL_1|Chains... *
5mqtRCSB PDB    PDBbind289aa, >5MQT_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4q1b
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHuman Deoxycytidine kinase, dCK (C9S, C45S, C59S, S74E, C146S mutant)
Ligand Name2Y0
EC.Number E.C.2.7.1.74
Resolution 2.15(Å)
Affinity (Kd/Ki/IC50)Ki=1.9nM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2014) J.Med.Chem. Vol. 57: pp. 9480-9494
Ligand Properties
Formula C20H26N6O3S3
Molecular Weight 494.654
Exact Mass 494.123
No. of atoms 58
No. of bonds 60
Polar Surface Area 208.03
LOGP Value 2.84      (Computed with XLOGP3)
5.57      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 9
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): P27707  
Entrez Gene IDNCBI Entrez Gene ID: 1633  
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: yingsaisi@foxmail.com