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Zinc in PDB 3okv: Human Carbonic Anhydrase II A65S, N67Q (Ca IX Mimic) Bound with 2- Ethylestrone 3-O-Sulfamate

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

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

Protein crystallography data

The structure of Human Carbonic Anhydrase II A65S, N67Q (Ca IX Mimic) Bound with 2- Ethylestrone 3-O-Sulfamate, PDB code: 3okv 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) 28.70 / 1.45
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.263, 41.297, 72.397, 90.00, 104.32, 90.00
R / Rfree (%) 13.2 / 14.7

Zinc Binding Sites:

The binding sites of Zinc atom in the Human Carbonic Anhydrase II A65S, N67Q (Ca IX Mimic) Bound with 2- Ethylestrone 3-O-Sulfamate (pdb code 3okv). 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 A65S, N67Q (Ca IX Mimic) Bound with 2- Ethylestrone 3-O-Sulfamate, PDB code: 3okv:

Zinc binding site 1 out of 1 in 3okv

Go back to Zinc Binding Sites List in 3okv
Zinc binding site 1 out of 1 in the Human Carbonic Anhydrase II A65S, N67Q (Ca IX Mimic) Bound with 2- Ethylestrone 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 A65S, N67Q (Ca IX Mimic) Bound with 2- Ethylestrone 3-O-Sulfamate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn262

b:8.4
occ:1.00
 NAC A:VZ4263 2.0 6.3 0.8
NE2 A:HIS94 2.0 6.7 1.0
NE2 A:HIS96 2.1 6.5 1.0
ND1 A:HIS119 2.1 6.9 1.0
O A:HOH627 2.3 13.6 0.2
CE1 A:HIS119 2.9 7.3 1.0
CD2 A:HIS94 3.0 7.0 1.0
CD2 A:HIS96 3.0 7.7 1.0
CE1 A:HIS94 3.0 6.7 1.0
SAZ A:VZ4263 3.1 9.6 0.8
CE1 A:HIS96 3.1 9.0 1.0
CG A:HIS119 3.2 6.0 1.0
OAF A:VZ4263 3.2 8.0 0.8
CB A:HIS119 3.6 6.6 1.0
O A:HOH628 3.8 18.4 0.2
CAG A:VZ4263 3.9 13.8 0.8
OE1 A:GLU106 3.9 8.0 1.0
OAP A:VZ4263 3.9 12.0 0.8
OG1 A:THR199 4.0 7.8 1.0
CAT A:VZ4263 4.1 8.8 0.8
NE2 A:HIS119 4.1 7.2 1.0
ND1 A:HIS94 4.1 8.4 1.0
CG A:HIS94 4.1 7.0 1.0
OAE A:VZ4263 4.2 13.6 0.8
ND1 A:HIS96 4.2 8.1 1.0
CG A:HIS96 4.2 8.2 1.0
CD2 A:HIS119 4.2 6.7 1.0
O A:HOH467 4.3 24.5 1.0
CAS A:VZ4263 4.7 16.8 0.8
CD A:GLU106 4.9 8.6 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: Sat Oct 26 11:00:21 2024

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