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Chlorine in PDB 3dcc: 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: 3dcc 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 / 1.60
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.890, 41.900, 73.000, 90.00, 104.61, 90.00
R / Rfree (%) n/a / 20.6

Other elements in 3dcc:

The structure of Use of Carbonic Anhydrase II, IX Active-Site Mimic, For the Purpose of Screening Inhibitors For Possible Anti-Cancer Properties also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine 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 3dcc). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine 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: 3dcc:

Chlorine binding site 1 out of 1 in 3dcc

Go back to Chlorine Binding Sites List in 3dcc
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl263

b:23.1
occ:1.00
CL1 A:D9Z263 0.0 23.1 1.0
C2 A:D9Z263 1.7 21.0 1.0
C3 A:D9Z263 2.5 29.5 1.0
C1 A:D9Z263 2.8 16.2 1.0
S2 A:D9Z263 3.0 13.4 1.0
C7 A:D9Z263 3.2 11.2 1.0
NE2 A:GLN92 3.5 31.5 1.0
C4 A:D9Z263 3.8 19.4 1.0
CZ A:PHE131 3.9 17.5 1.0
CD A:GLN92 4.0 16.2 1.0
C6 A:D9Z263 4.0 22.8 1.0
CG1 A:VAL121 4.1 8.8 1.0
CG A:GLN92 4.4 11.5 1.0
O A:HOH434 4.4 34.0 0.5
CG2 A:VAL121 4.4 11.0 1.0
C5 A:D9Z263 4.4 23.7 1.0
CE1 A:PHE131 4.4 17.6 1.0
N1 A:D9Z263 4.5 13.5 1.0
CB A:VAL121 4.6 11.8 1.0
CE2 A:PHE131 4.6 19.9 1.0
C8 A:D9Z263 4.7 14.0 1.0
OE1 A:GLN92 4.7 15.2 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: Sat Jul 20 18:07:32 2024

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