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: 3mdz
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3ml5RCSB PDB    PDBbind269aa, >3ML5_1|Chain... at 95%
6h36RCSB PDB    PDBbind274aa, >6H36_1|Chain... at 93%
6h37RCSB PDB    PDBbind274aa, >6H37_1|Chain... at 93%
6h38RCSB PDB    PDBbind274aa, >6H38_1|Chain... at 93%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3cajRCSB PDB    PDBbindEZL
3dcwRCSB PDB    PDBbindEZL
3dd0RCSB PDB    PDBbindEZL
5tt3RCSB PDB    PDBbindEZL
6ql2RCSB PDB    PDBbindEZL
5jn9RCSB PDB    PDBbindEZL
Entry Information
PDB ID3mdz
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameHuman Carbonic Anhydrase VII
Ligand NameEZL
EC.Number E.C.4.2.1.1
Resolution 2.32(Å)
Affinity (Kd/Ki/IC50)Ki=0.8nM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2009) Bioorg. Med. Chem., Vol.17, pp.1214-1221
Ligand Properties
Formula C9H10N2O3S2
Molecular Weight 258.317
Exact Mass 258.013
No. of atoms 26
No. of bonds 27
Polar Surface Area 118.9
LOGP Value 1.61      (Computed with XLOGP3)
3.12      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 3
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): P43166  
Entrez Gene IDNCBI Entrez Gene ID: 766  
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