 |
PDBsum entry 5e2m
|
|
|
|
PDB id:
|
|
|
|
| Name: |
|
Lyase
|
|
|
Title:
|
|
Crystal structure of human carbonic anhydrase isozyme i with 3- (cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl) sulfonyl]benzenesulfonamide
|
|
Structure:
|
|
Carbonic anhydrase 1. Chain: a, b. Fragment: human carbonic anhydrase i. Synonym: carbonate dehydratase i,carbonic anhydrase b,cab,carbonic anhydrase i,ca-i. Engineered: yes
|
|
Source:
|
|
Homo sapiens. Human. Organism_taxid: 9606. Gene: ca1. Expressed in: escherichia coli bl21(de3). Expression_system_taxid: 469008.
|
|
Resolution:
|
|
|
1.41Å
|
R-factor:
|
0.185
|
R-free:
|
0.207
|
|
|
Authors:
|
|
E.Manakova,A.Smirnov,S.Grazulis
|
|
Key ref:
|
|
A.Zubrienė
et al.
(2017).
Intrinsic Thermodynamics and Structures of 2,4- and 3,4-Substituted Fluorinated Benzenesulfonamides Binding to Carbonic Anhydrases.
Chemmedchem,
12,
161-176.
PubMed id:
DOI:
|
|
|
Date:
|
|
|
01-Oct-15
|
Release date:
|
05-Oct-16
|
|
|
|
|
|
|
PROCHECK
|
|
|
|
|
|
Headers
|
|
|
|
References
|
|
|
|
|
|
|
|
P00915
(CAH1_HUMAN) -
Carbonic anhydrase 1 from Homo sapiens
|
|
|
|
Seq:
Struc:
|
|
|
|
261 a.a.
256 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
Bound ligand (Het Group name = )
matches with 75.00% similarity
|
+
|
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:
|
Chemmedchem
12:161-176
(2017)
|
|
PubMed id:
|
|
|
|
|
|
| |
|
Intrinsic Thermodynamics and Structures of 2,4- and 3,4-Substituted Fluorinated Benzenesulfonamides Binding to Carbonic Anhydrases.
|
|
A.Zubrienė,
A.Smirnov,
V.Dudutienė,
D.D.Timm,
J.Matulienė,
V.Michailovienė,
A.Zakšauskas,
E.Manakova,
S.Gražulis,
D.Matulis.
|
|
|
|
|
| |
ABSTRACT
|
|
|
|
| |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
 |
 |
 |
|
Links
