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: 4ijq
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1bzyRCSB PDB    PDBbind217aa, >1BZY_1|Chains... at 100%
1d6nRCSB PDB    PDBbind214aa, >1D6N_1|Chains... at 99%
3gepRCSB PDB    PDBbind217aa, >3GEP_1|Chains... at 100%
3ggcRCSB PDB    PDBbind217aa, >3GGC_1|Chains... at 100%
3ggjRCSB PDB    PDBbind217aa, >3GGJ_1|Chains... at 100%
4rabRCSB PDB    PDBbind217aa, >4RAB_1|Chains... at 100%
4racRCSB PDB    PDBbind217aa, >4RAC_1|Chains... at 100%
4radRCSB PDB    PDBbind217aa, >4RAD_1|Chains... at 100%
4ranRCSB PDB    PDBbind217aa, >4RAN_1|Chains... at 100%
4raoRCSB PDB    PDBbind217aa, >4RAO_1|Chains... at 100%
4raqRCSB PDB    PDBbind217aa, >4RAQ_1|Chains... at 100%
5brnRCSB PDB    PDBbind218aa, >5BRN_1|Chains... at 98%
5bskRCSB PDB    PDBbind218aa, >5BSK_1|Chains... at 98%
5w8vRCSB PDB    PDBbind215aa, >5W8V_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
6apsRCSB PDB    PDBbindSV2
Entry Information
PDB ID4ijq
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehypoxanthine−guanine phosphoribosyltransferase
Ligand NameSV2
EC.Number E.C.2.4.2.8
Resolution 2(Å)
Affinity (Kd/Ki/IC50)Ki=0.03uM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) J.Med.Chem. Vol. 56: pp. 2513-2526
Ligand Properties
Formula C11H21N5O9P2
Molecular Weight 429.260
Exact Mass 429.081
No. of atoms 48
No. of bonds 49
Polar Surface Area 256.61
LOGP Value -5.01      (Computed with XLOGP3)
-1.67      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 14
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): P00492  
Entrez Gene IDNCBI Entrez Gene ID: 3251  
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