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Literature summary for 4.2.1.1 extracted from

  • Temperini, C.; Winum, J.Y.; Montero, J.L.; Scozzafava, A.; Supuran, C.T.
    Carbonic anhydrase inhibitors: the X-ray crystal structure of the adduct of N-hydroxysulfamide with isozyme II explains why this new zinc binding function is effective in the design of potent inhibitors (2007), Bioorg. Med. Chem. Lett., 17, 2795-2801.
    View publication on PubMed

Crystallization (Commentary)

Crystallization (Comment) Organism
the hCA II–N-hydroxysulfamide complex is cocrystallized at 4°C by the hanging drop vapor diffusion method. X-ray crystal structure of the human hCA II-N-hydroxysulfamide adduct Homo sapiens

Inhibitors

Inhibitors Comment Organism Structure
H2NSO2NH2 isoenzyme hCA I; isoenzyme hCA II; isoenzyme hCA IX; isoenzyme hCA XII Homo sapiens
H2NSO3H isoenzyme hCA I; isoenzyme hCA II; isoenzyme hCA IX; isoenzyme hCA XII Homo sapiens
N-hydroxysulfamide isoenzyme hCA I; isoenzyme hCA IX; isoenzyme hCA XII; the inhibitor coordinates to the active site zinc ion by the ionized primary amino group, participating in an extended network of hydrogen bonds with amino acid residues Thr199, Thr200 and two water molecules, isoenzyme hCA II Homo sapiens
SO42- isoenzyme hCA I; isoenzyme hCA XII Homo sapiens

Organism

Organism UniProt Comment Textmining
Homo sapiens O43570 recombinant
-
Homo sapiens P00915
-
-
Homo sapiens P00918
-
-
Homo sapiens Q16790
-
-

Synonyms

Synonyms Comment Organism
hCA I
-
Homo sapiens
HCA II
-
Homo sapiens
hCA IX
-
Homo sapiens
hCA XII
-
Homo sapiens

Ki Value [mM]

Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
0.000566
-
N-hydroxysulfamide isoenzyme hCA II Homo sapiens
0.000865
-
N-hydroxysulfamide isoenzyme hCA IX Homo sapiens
0.00134
-
N-hydroxysulfamide isoenzyme hCA XII Homo sapiens
0.00405
-
N-hydroxysulfamide isoenzyme hCA I Homo sapiens
0.0092
-
H2NSO3H isoenzyme hCA IX Homo sapiens
0.0096
-
H2NSO2NH2 isoenzyme hCA IX Homo sapiens
0.0107
-
H2NSO3H isoenzyme hCA XII Homo sapiens
0.0132
-
H2NSO2NH2 isoenzyme hCA XII Homo sapiens
0.021
-
H2NSO3H isoenzyme hCA I Homo sapiens
0.31
-
H2NSO2NH2 isoenzyme hCA I Homo sapiens
0.39
-
H2NSO3H isoenzyme hCA II Homo sapiens
0.77
-
SO42- isoenzyme hCA XII Homo sapiens
1.13
-
H2NSO2NH2 isoenzyme hCA II Homo sapiens
63
-
SO42- isoenzyme hCA I Homo sapiens