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: 4ij1
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3qqsRCSB PDB    PDBbind377aa, >3QQS_1|Chains... at 100%
3qs8RCSB PDB    PDBbind377aa, >3QS8_1|Chains... at 100%
3r6cRCSB PDB    PDBbind377aa, >3R6C_1|Chains... at 100%
3r88RCSB PDB    PDBbind377aa, >3R88_1|Chains... at 100%
3twpRCSB PDB    PDBbind377aa, >3TWP_1|Chains... at 100%
3uu1RCSB PDB    PDBbind377aa, >3UU1_1|Chains... at 100%
4giuRCSB PDB    PDBbind378aa, >4GIU_1|Chains... at 99%
4gkmRCSB PDB    PDBbind379aa, >4GKM_1|Chains... at 100%
4m0rRCSB PDB    PDBbind379aa, >4M0R_1|Chains... at 100%
4n8qRCSB PDB    PDBbind378aa, >4N8Q_1|Chains... at 99%
4owmRCSB PDB    PDBbind378aa, >4OWM_1|Chains... at 99%
4ownRCSB PDB    PDBbind378aa, >4OWN_1|Chains... at 99%
4owoRCSB PDB    PDBbind378aa, >4OWO_1|Chains... at 99%
4owvRCSB PDB    PDBbind378aa, >4OWV_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3qqsRCSB PDB    PDBbind17C
Entry Information
PDB ID4ij1
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameAnthranilate phosphoribosyltransferase
Ligand Name17C
EC.Number E.C.2.4.2.18
Resolution 1.79(Å)
Affinity (Kd/Ki/IC50)Ki=4uM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Chembiochem Vol. 15: pp. 852-864
Ligand Properties
Formula C14H11NO4
Molecular Weight 257.241
Exact Mass 257.069
No. of atoms 30
No. of bonds 31
Polar Surface Area 86.63
LOGP Value 5.24      (Computed with XLOGP3)
2.90      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 5
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): P9WFX5  
Entrez Gene IDNCBI Entrez Gene ID: 887681  
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