 |
PDBsum entry 4z1j
|
|
|
|
PDB id:
|
|
|
|
| Name: |
|
Lyase
|
|
|
Title:
|
|
Carbonic anhydrase inhibitors: design and synthesis of new heteroaryl- n-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms (hca vii, hca ix, and hca xiv)
|
|
Structure:
|
|
Carbonic anhydrase 2. Chain: a. Synonym: carbonate dehydratase ii,carbonic anhydrasE C,cac,carbonic anhydrase ii,ca-ii. Engineered: yes
|
|
Source:
|
|
Homo sapiens. Human. Organism_taxid: 9606. Gene: ca2. Expressed in: escherichia coli. Expression_system_taxid: 562
|
|
Resolution:
|
|
|
1.27Å
|
R-factor:
|
0.139
|
R-free:
|
0.170
|
|
|
Authors:
|
|
J.Brynda,K.Pospisilova,P.Rezacova,P.Pachl
|
|
Key ref:
|
|
M.R.Buemi
et al.
(2015).
Carbonic anhydrase inhibitors: Design, synthesis and structural characterization of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms.
Eur J Med Chem,
102,
223-232.
PubMed id:
DOI:
|
|
|
Date:
|
|
|
27-Mar-15
|
Release date:
|
26-Aug-15
|
|
|
|
|
|
|
PROCHECK
|
|
|
|
|
|
Headers
|
|
|
|
References
|
|
|
|
|
|
|
|
P00918
(CAH2_HUMAN) -
Carbonic anhydrase 2 from Homo sapiens
|
|
|
|
Seq:
Struc:
|
|
|
|
260 a.a.
258 a.a.
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
Key: |
 |
PfamA domain |
|
|
 |
Secondary structure |
|
 |
CATH domain |
|
|
|
|
|
|
|
|
|
|
|
|
|
Enzyme class 2:
|
|
E.C.4.2.1.1
- carbonic anhydrase.
|
|
|
|
|
|
|
Reaction:
|
|
hydrogencarbonate + H+ = CO2 + H2O
|
|
|
|
|
|
hydrogencarbonate
|
+
|
H(+)
|
=
|
CO2
|
+
|
H2O
|
|
|
|
|
|
|
|
|
|
Cofactor:
|
|
Zn(2+)
|
|
|
|
|
|
Enzyme class 3:
|
|
E.C.4.2.1.69
- cyanamide hydratase.
|
|
|
|
|
|
|
Reaction:
|
|
urea = cyanamide + H2O
|
|
|
|
|
|
urea
|
=
|
cyanamide
|
+
|
H2O
|
|
|
|
|
|
|
|
|
|
|
|
|
Note, where more than one E.C. class is given (as above), each may
correspond to a different protein domain or, in the case of polyprotein
precursors, to a different mature protein.
|
|
|
|
Molecule diagrams generated from .mol files obtained from the
KEGG ftp site
|
|
|
|
|
|
|
|
|
|
|
|
|
|
 |
|
|
|
|
|
|
| |
|
|
| |
|
DOI no:
|
Eur J Med Chem
102:223-232
(2015)
|
|
PubMed id:
|
|
|
|
|
|
| |
|
Carbonic anhydrase inhibitors: Design, synthesis and structural characterization of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms.
|
|
M.R.Buemi,
L.De Luca,
S.Ferro,
E.Bruno,
M.Ceruso,
C.T.Supuran,
K.Pospíšilová,
J.Brynda,
P.Řezáčová,
R.Gitto.
|
|
|
|
|
| |
ABSTRACT
|
|
|
|
| |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
 |
 |
 |
|
Links
