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: 1px4
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3dyoRCSB PDB    PDBbind1023aa, >3DYO_1|Chains... at 99%
3i3bRCSB PDB    PDBbind1023aa, >3I3B_1|Chains... at 99%
3i3dRCSB PDB    PDBbind1023aa, >3I3D_1|Chains... at 99%
3muzRCSB PDB    PDBbind1052aa, >3MUZ_1|Chains... *
3mv0RCSB PDB    PDBbind1052aa, >3MV0_1|Chains... at 100%
3t08RCSB PDB    PDBbind1052aa, >3T08_1|Chains... at 99%
3t09RCSB PDB    PDBbind1052aa, >3T09_1|Chains... at 99%
3t0bRCSB PDB    PDBbind1052aa, >3T0B_1|Chains... at 99%
3t0dRCSB PDB    PDBbind1052aa, >3T0D_1|Chains... at 99%
3t2pRCSB PDB    PDBbind1052aa, >3T2P_1|Chains... at 99%
3t2qRCSB PDB    PDBbind1052aa, >3T2Q_1|Chains... at 99%
3vd4RCSB PDB    PDBbind1052aa, >3VD4_1|Chains... at 99%
3vd7RCSB PDB    PDBbind1052aa, >3VD7_1|Chains... at 99%
3vd9RCSB PDB    PDBbind1052aa, >3VD9_1|Chains... at 99%
3vdbRCSB PDB    PDBbind1052aa, >3VDB_1|Chains... at 99%
3vdcRCSB PDB    PDBbind1052aa, >3VDC_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3dyoRCSB PDB    PDBbindIPT
3i3dRCSB PDB    PDBbindIPT
3muzRCSB PDB    PDBbindIPT
3t08RCSB PDB    PDBbindIPT
3t0bRCSB PDB    PDBbindIPT
3t2pRCSB PDB    PDBbindIPT
3vd4RCSB PDB    PDBbindIPT
3vd9RCSB PDB    PDBbindIPT
3vdcRCSB PDB    PDBbindIPT
4oueRCSB PDB    PDBbindIPT
Entry Information
PDB ID1px4
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namebeta-galactosidase
Ligand NameIPT
EC.Number E.C.3.2.1.23
Resolution 1.6(Å)
Affinity (Kd/Ki/IC50)Ki=0.59mM
Release Year2004
Protein/NA SequenceCheck fasta file
Primary Reference Biochemistry v42 pp. 13505-11, 2003
Ligand Properties
Formula C9H18O5S
Molecular Weight 238.301
Exact Mass 238.087
No. of atoms 33
No. of bonds 33
Polar Surface Area 115.45
LOGP Value -0.46      (Computed with XLOGP3)
-1.07      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 1
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): P00722  
Entrez Gene IDNCBI Entrez Gene ID: 945006  
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