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: 4i7l
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4i7jRCSB PDB    PDBbind187aa, >4I7J_1|Chains... *
4i7kRCSB PDB    PDBbind187aa, >4I7K_1|Chains... at 100%
4i7mRCSB PDB    PDBbind187aa, >4I7M_1|Chains... at 100%
4i7pRCSB PDB    PDBbind187aa, >4I7P_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1ai7RCSB PDB    PDBbindIPH
1li2RCSB PDB    PDBbindIPH
3f39RCSB PDB    PDBbindIPH
5kbeRCSB PDB    PDBbindIPH

Entry Information
PDB ID4i7l
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameLysozyme (T21C, S38D, L99A, M102H, E108V, S117V, T142C, N144D mutation)
Ligand NameIPH
EC.Number E.C.3.2.1.17
Resolution 1.52(Å)
Affinity (Kd/Ki/IC50)Kd=103uM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) J.Med.Chem. Vol. 56: pp. 2874-2884
Ligand Properties
Formula C6H6O
Molecular Weight 94.111
Exact Mass 94.042
No. of atoms 13
No. of bonds 13
Polar Surface Area 20.23
LOGP Value 1.57      (Computed with XLOGP3)
1.39      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 1
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): P00720  
Entrez Gene IDNCBI Entrez Gene ID: 1258585  
ASDInformation of known allosteric effects of PDB entries

 
This site has been visited times since Nov 2007.


Copyright ©2007-2021    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