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: 6evr
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1azmRCSB PDB    PDBbind260aa, >1AZM_1|Chain... at 100%
2foyRCSB PDB    PDBbind260aa, >2FOY_1|Chains... at 100%
2it4RCSB PDB    PDBbind256aa, >2IT4_1|Chains... at 100%
2nmxRCSB PDB    PDBbind260aa, >2NMX_1|Chains... at 100%
2nn1RCSB PDB    PDBbind260aa, >2NN1_1|Chains... at 100%
2nn7RCSB PDB    PDBbind260aa, >2NN7_1|Chains... at 100%
3lxeRCSB PDB    PDBbind260aa, >3LXE_1|Chains... at 100%
4wr7RCSB PDB    PDBbind260aa, >4WR7_1|Chains... at 99%
4wupRCSB PDB    PDBbind260aa, >4WUP_1|Chains... at 99%
5e2mRCSB PDB    PDBbind260aa, >5E2M_1|Chains... at 99%
5gmmRCSB PDB    PDBbind261aa, >5GMM_1|Chains... *
6ex1RCSB PDB    PDBbind261aa, >6EX1_1|Chains... at 100%
6f3bRCSB PDB    PDBbind261aa, >6F3B_1|Chains... at 100%
6fafRCSB PDB    PDBbind261aa, >6FAF_1|Chains... at 100%
6g3vRCSB PDB    PDBbind261aa, >6G3V_1|Chains... at 100%
6hwzRCSB PDB    PDBbind261aa, >6HWZ_1|Chains... at 100%
6fagRCSB PDB    PDBbind261aa, >6FAG_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID6evr
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameCarbonic anhydrase 1
Ligand NameBZW
EC.Number E.C.4.2.1.1
Resolution 1.5(Å)
Affinity (Kd/Ki/IC50)Ki=8.8nM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) Eur J Med Chem Vol. 151: pp. 363-375
Ligand Properties
Formula C20H23N3O4S
Molecular Weight 401.479
Exact Mass 401.141
No. of atoms 51
No. of bonds 53
Polar Surface Area 109.16
LOGP Value 1.24      (Computed with XLOGP3)
2.91      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 3
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): P00915  
Entrez Gene IDNCBI Entrez Gene ID: 759  
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