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Zinc in PDB 3dcw: Use of Carbonic Anhydrase II, IX Active-Site Mimic, For the Purpose of Screening Inhibitors For Possible Anti-Cancer Properties

Enzymatic activity of Use of Carbonic Anhydrase II, IX Active-Site Mimic, For the Purpose of Screening Inhibitors For Possible Anti-Cancer Properties

All present enzymatic activity of Use of Carbonic Anhydrase II, IX Active-Site Mimic, For the Purpose of Screening Inhibitors For Possible Anti-Cancer Properties:
4.2.1.1;

Protein crystallography data

The structure of Use of Carbonic Anhydrase II, IX Active-Site Mimic, For the Purpose of Screening Inhibitors For Possible Anti-Cancer Properties, PDB code: 3dcw was solved by C.Genis, K.H.Sippel, N.Case, L.Govindasamy, M.Agbandje-Mckenna, R.Mckenna, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.50
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.840, 41.680, 72.760, 90.00, 104.50, 90.00
R / Rfree (%) n/a / 19

Zinc Binding Sites:

The binding sites of Zinc atom in the Use of Carbonic Anhydrase II, IX Active-Site Mimic, For the Purpose of Screening Inhibitors For Possible Anti-Cancer Properties (pdb code 3dcw). 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 Use of Carbonic Anhydrase II, IX Active-Site Mimic, For the Purpose of Screening Inhibitors For Possible Anti-Cancer Properties, PDB code: 3dcw:

Zinc binding site 1 out of 1 in 3dcw

Go back to Zinc Binding Sites List in 3dcw
Zinc binding site 1 out of 1 in the Use of Carbonic Anhydrase II, IX Active-Site Mimic, For the Purpose of Screening Inhibitors For Possible Anti-Cancer Properties


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Use of Carbonic Anhydrase II, IX Active-Site Mimic, For the Purpose of Screening Inhibitors For Possible Anti-Cancer Properties within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn262

b:11.6
occ:1.00
 N1 A:EZL301 2.0 12.9 1.0
NE2 A:HIS94 2.0 11.0 1.0
NE2 A:HIS96 2.0 12.3 1.0
ND1 A:HIS119 2.1 11.1 1.0
CD2 A:HIS94 2.9 14.2 1.0
CE1 A:HIS119 2.9 10.8 1.0
CD2 A:HIS96 3.0 11.7 1.0
CE1 A:HIS96 3.0 10.6 1.0
S1 A:EZL301 3.0 13.1 1.0
O2 A:EZL301 3.1 11.1 1.0
CE1 A:HIS94 3.1 13.9 1.0
CG A:HIS119 3.1 9.0 1.0
CB A:HIS119 3.5 10.5 1.0
O A:HOH342 3.9 23.4 1.0
OG1 A:THR199 4.0 12.6 1.0
OE1 A:GLU106 4.0 14.2 1.0
NE2 A:HIS119 4.1 10.1 1.0
CG A:HIS94 4.1 12.4 1.0
CG A:HIS96 4.1 9.5 1.0
O1 A:EZL301 4.1 15.6 1.0
ND1 A:HIS94 4.2 13.4 1.0
ND1 A:HIS96 4.2 10.7 1.0
CD2 A:HIS119 4.2 12.2 1.0
C1 A:EZL301 4.2 12.4 1.0
O A:HOH321 4.3 23.2 0.5
CD A:GLU106 5.0 15.9 1.0
N2 A:EZL301 5.0 12.2 1.0
CA A:HIS119 5.0 9.2 1.0

Reference:

C.Genis, K.H.Sippel, N.Case, W.Cao, B.S.Avvaru, L.J.Tartaglia, L.Govindasamy, C.Tu, M.Agbandje-Mckenna, D.N.Silverman, C.J.Rosser, R.Mckenna. Design of A Carbonic Anhydrase IX Active-Site Mimic to Screen Inhibitors For Possible Anticancer Properties Biochemistry V. 48 1322 2009.
ISSN: ISSN 0006-2960
PubMed: 19170619
DOI: 10.1021/BI802035F
Page generated: Thu Oct 24 12:09:12 2024

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