Zinc in PDB 7v6f: Structure of Candida Albicans Fructose-1,6-Bisphosphate Aldolase Complexed with G3P

Enzymatic activity of Structure of Candida Albicans Fructose-1,6-Bisphosphate Aldolase Complexed with G3P

All present enzymatic activity of Structure of Candida Albicans Fructose-1,6-Bisphosphate Aldolase Complexed with G3P:
4.1.2.13;

Protein crystallography data

The structure of Structure of Candida Albicans Fructose-1,6-Bisphosphate Aldolase Complexed with G3P, PDB code: 7v6f was solved by C.Hongxuan, Y.Huang, C.Han, W.Chen, Y.Ren, J.Wan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.68 / 2.98
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 119.458, 56.57, 131.747, 90, 113.43, 90
R / Rfree (%) 21.7 / 28

Zinc Binding Sites:

The binding sites of Zinc atom in the Structure of Candida Albicans Fructose-1,6-Bisphosphate Aldolase Complexed with G3P (pdb code 7v6f). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Structure of Candida Albicans Fructose-1,6-Bisphosphate Aldolase Complexed with G3P, PDB code: 7v6f:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 7v6f

Go back to Zinc Binding Sites List in 7v6f
Zinc binding site 1 out of 2 in the Structure of Candida Albicans Fructose-1,6-Bisphosphate Aldolase Complexed with G3P


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of Candida Albicans Fructose-1,6-Bisphosphate Aldolase Complexed with G3P within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn601

b:59.6
occ:1.00
NE2 A:HIS109 2.1 28.5 1.0
OE1 A:GLU173 2.2 56.5 1.0
OE2 A:GLU173 2.2 51.2 1.0
NE2 A:HIS225 2.3 77.9 1.0
ND1 A:HIS264 2.4 45.9 1.0
CD A:GLU173 2.4 50.6 1.0
CE1 A:HIS225 2.7 73.6 1.0
CE1 A:HIS109 3.0 29.2 1.0
CD2 A:HIS109 3.1 29.0 1.0
CE1 A:HIS264 3.2 45.3 1.0
CD2 A:HIS225 3.5 81.5 1.0
CG A:HIS264 3.5 44.4 1.0
CB A:HIS264 3.9 42.0 1.0
ND1 A:HIS225 3.9 83.1 1.0
CG A:GLU173 3.9 46.5 1.0
ND1 A:HIS109 4.1 28.6 1.0
CG A:HIS109 4.2 27.4 1.0
O A:HOH708 4.2 12.6 1.0
CG A:HIS225 4.3 86.2 1.0
NE2 A:HIS264 4.4 47.0 1.0
CD2 A:HIS264 4.6 47.5 1.0
OD1 A:ASP143 4.7 41.6 1.0
CB A:GLU173 4.7 45.5 1.0
CE A:MET141 5.0 43.1 1.0
CG A:ASP143 5.0 44.7 1.0

Zinc binding site 2 out of 2 in 7v6f

Go back to Zinc Binding Sites List in 7v6f
Zinc binding site 2 out of 2 in the Structure of Candida Albicans Fructose-1,6-Bisphosphate Aldolase Complexed with G3P


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure of Candida Albicans Fructose-1,6-Bisphosphate Aldolase Complexed with G3P within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn501

b:68.5
occ:1.00
NE2 B:HIS109 1.8 55.6 1.0
NE2 B:HIS225 2.1 65.8 1.0
OE2 B:GLU173 2.2 48.2 1.0
OE1 B:GLU173 2.2 52.1 1.0
ND1 B:HIS264 2.4 45.3 1.0
CD B:GLU173 2.5 50.8 1.0
CE1 B:HIS109 2.8 55.0 1.0
CD2 B:HIS109 2.8 53.2 1.0
CD2 B:HIS225 2.9 71.5 1.0
CE1 B:HIS225 2.9 66.1 1.0
CE1 B:HIS264 3.2 47.4 1.0
CG B:HIS264 3.5 43.5 1.0
ND1 B:HIS225 3.8 64.4 1.0
CG B:HIS225 3.8 72.0 1.0
ND1 B:HIS109 3.9 55.1 1.0
CG B:GLU173 3.9 51.5 1.0
CG B:HIS109 3.9 52.0 1.0
CB B:HIS264 3.9 44.3 1.0
OD1 B:ASP143 4.3 49.5 1.0
CE B:MET141 4.4 44.7 1.0
CB B:GLU173 4.4 54.4 1.0
NE2 B:HIS264 4.4 47.2 1.0
OD2 B:ASP143 4.4 49.4 1.0
CG B:ASP143 4.5 52.7 1.0
CD2 B:HIS264 4.6 44.2 1.0

Reference:

W.Wen, H.Cao, Y.Huang, J.Tu, C.Wan, J.Wan, X.Han, H.Chen, J.Liu, L.Rao, C.Su, C.Peng, C.Sheng, Y.Ren. Structure-Guided Discovery of the Novel Covalent Allosteric Site and Covalent Inhibitors of Fructose-1,6-Bisphosphate Aldolase to Overcome the Azole Resistance of Candidiasis. J.Med.Chem. V. 65 2656 2022.
ISSN: ISSN 0022-2623
DOI: 10.1021/ACS.JMEDCHEM.1C02102
Page generated: Sat Apr 8 04:40:34 2023

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