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Zinc in PDB 3oil: Human Carbonic Anhydrase II Mutant A65S, N67Q (Ca IX Mimic) Bound By 2-Ethylestradiol 3-O-Sulfamate

Enzymatic activity of Human Carbonic Anhydrase II Mutant A65S, N67Q (Ca IX Mimic) Bound By 2-Ethylestradiol 3-O-Sulfamate

All present enzymatic activity of Human Carbonic Anhydrase II Mutant A65S, N67Q (Ca IX Mimic) Bound By 2-Ethylestradiol 3-O-Sulfamate:
4.2.1.1;

Protein crystallography data

The structure of Human Carbonic Anhydrase II Mutant A65S, N67Q (Ca IX Mimic) Bound By 2-Ethylestradiol 3-O-Sulfamate, PDB code: 3oil was solved by K.H.Sippel, B.A.Stander, A.H.Robbins, C.K.Tu, M.Agbandje-Mckenna, D.N.Silverman, A.M.Joubert, R.Mckenna, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 23.14 / 1.50
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.138, 41.256, 71.570, 90.00, 104.07, 90.00
R / Rfree (%) 14.4 / 17.3

Zinc Binding Sites:

The binding sites of Zinc atom in the Human Carbonic Anhydrase II Mutant A65S, N67Q (Ca IX Mimic) Bound By 2-Ethylestradiol 3-O-Sulfamate (pdb code 3oil). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Human Carbonic Anhydrase II Mutant A65S, N67Q (Ca IX Mimic) Bound By 2-Ethylestradiol 3-O-Sulfamate, PDB code: 3oil:

Zinc binding site 1 out of 1 in 3oil

Go back to Zinc Binding Sites List in 3oil
Zinc binding site 1 out of 1 in the Human Carbonic Anhydrase II Mutant A65S, N67Q (Ca IX Mimic) Bound By 2-Ethylestradiol 3-O-Sulfamate


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Human Carbonic Anhydrase II Mutant A65S, N67Q (Ca IX Mimic) Bound By 2-Ethylestradiol 3-O-Sulfamate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn262

b:9.4
occ:1.00
 N1 A:VZ5263 1.9 4.2 0.7
NE2 A:HIS94 2.0 7.7 1.0
NE2 A:HIS96 2.1 8.2 1.0
ND1 A:HIS119 2.1 7.5 1.0
CE1 A:HIS119 2.9 8.0 1.0
CD2 A:HIS94 3.0 9.1 1.0
CD2 A:HIS96 3.0 9.0 1.0
CE1 A:HIS94 3.0 7.9 1.0
CE1 A:HIS96 3.1 8.2 1.0
S1 A:VZ5263 3.1 11.0 0.7
CG A:HIS119 3.2 7.1 1.0
O2 A:VZ5263 3.2 9.4 0.7
CB A:HIS119 3.6 6.7 1.0
O A:HOH608 3.7 25.6 0.3
OG1 A:THR199 3.9 8.7 1.0
OE1 A:GLU106 3.9 8.3 1.0
O1 A:VZ5263 4.0 10.0 0.7
NE2 A:HIS119 4.1 7.9 1.0
O3 A:VZ5263 4.1 17.2 0.7
CG A:HIS94 4.1 8.8 1.0
ND1 A:HIS94 4.1 9.2 1.0
ND1 A:HIS96 4.2 8.2 1.0
CG A:HIS96 4.2 8.3 1.0
CD2 A:HIS119 4.2 7.4 1.0
C2 A:VZ5263 4.4 13.7 0.7
C1 A:VZ5263 4.5 22.8 0.7
O A:HOH609 4.7 35.4 1.0
CD A:GLU106 4.9 8.9 1.0

Reference:

K.H.Sippel, B.A.Stander, A.H.Robbins, C.K.Tu, M.Agbandje-Mckenna, D.N.Silverman, A.M.Joubert, R.Mckenna. Characterization of Carbonic Anhydrase Isozyme Specific Inhibition By Sulfamated 2-Ethylestra Compounds Lett.Drug Des.Discovery V. 8 2011.
ISSN: ISSN 1570-1808
Page generated: Wed Aug 20 12:37:03 2025

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