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: 6ex1
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... *
6evrRCSB PDB    PDBbind261aa, >6EVR_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 ID6ex1
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameCarbonic anhydrase 1
Ligand NameN19
EC.Number E.C.4.2.1.1
Resolution 1.6(Å)
Affinity (Kd/Ki/IC50)Ki=49.4nM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) Eur J Med Chem Vol. 151: pp. 363-375
Ligand Properties
Formula C18H22N3O3S
Molecular Weight 360.451
Exact Mass 360.138
No. of atoms 47
No. of bonds 49
Polar Surface Area 105.46
LOGP Value 1.31      (Computed with XLOGP3)
3.25      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 6
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