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Zinc in PDB 3tp9: Crystal Structure of Alicyclobacillus Acidocaldarius Protein with Beta-Lactamase and Rhodanese Domains

Protein crystallography data

The structure of Crystal Structure of Alicyclobacillus Acidocaldarius Protein with Beta-Lactamase and Rhodanese Domains, PDB code: 3tp9 was solved by K.Michalska, G.Chhor, M.E.Mandel, J.Bearden, A.Joachimiak, Midwest Centerfor Structural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 37.86 / 2.70
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 169.335, 169.335, 77.797, 90.00, 90.00, 90.00
R / Rfree (%) 20.3 / 25.4

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Alicyclobacillus Acidocaldarius Protein with Beta-Lactamase and Rhodanese Domains (pdb code 3tp9). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of Alicyclobacillus Acidocaldarius Protein with Beta-Lactamase and Rhodanese Domains, PDB code: 3tp9:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 3tp9

Go back to Zinc Binding Sites List in 3tp9
Zinc binding site 1 out of 2 in the Crystal Structure of Alicyclobacillus Acidocaldarius Protein with Beta-Lactamase and Rhodanese Domains


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Alicyclobacillus Acidocaldarius Protein with Beta-Lactamase and Rhodanese Domains within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn472

b:57.5
occ:1.00
OD2 A:ASP146 2.0 50.7 1.0
NE2 A:HIS56 2.2 48.3 1.0
NE2 A:HIS120 2.2 51.5 1.0
CE1 A:HIS56 3.1 44.3 1.0
CD2 A:HIS120 3.1 45.2 1.0
CD2 A:HIS56 3.2 45.0 1.0
SG A:CYS202 3.2 48.7 1.0
CG A:ASP146 3.2 41.8 1.0
CE1 A:HIS120 3.2 47.7 1.0
CB A:ASP146 3.8 40.4 1.0
CE1 A:HIS196 4.2 36.6 1.0
OD2 A:ASP60 4.2 40.0 1.0
ND1 A:HIS56 4.2 43.8 1.0
CB A:CYS202 4.2 48.6 1.0
OD1 A:ASP146 4.2 42.2 1.0
CG A:HIS56 4.3 43.5 1.0
CG A:HIS120 4.3 42.8 1.0
ND1 A:HIS120 4.3 44.8 1.0
ND1 A:HIS58 4.4 38.6 1.0
N A:ALA59 4.4 38.9 1.0
ND1 A:HIS196 4.6 36.1 1.0
CA A:HIS58 4.7 38.6 1.0

Zinc binding site 2 out of 2 in 3tp9

Go back to Zinc Binding Sites List in 3tp9
Zinc binding site 2 out of 2 in the Crystal Structure of Alicyclobacillus Acidocaldarius Protein with Beta-Lactamase and Rhodanese Domains


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Alicyclobacillus Acidocaldarius Protein with Beta-Lactamase and Rhodanese Domains within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn472

b:52.8
occ:1.00
OD2 B:ASP146 2.0 55.5 1.0
NE2 B:HIS56 2.2 48.1 1.0
NE2 B:HIS120 2.2 55.2 1.0
SG B:CYS202 3.1 54.5 1.0
CD2 B:HIS120 3.1 49.9 1.0
CE1 B:HIS56 3.1 44.0 1.0
CD2 B:HIS56 3.2 45.4 1.0
CE1 B:HIS120 3.2 53.2 1.0
CG B:ASP146 3.2 46.6 1.0
CB B:ASP146 3.8 45.0 1.0
CE1 B:HIS196 4.0 40.1 1.0
OD2 B:ASP60 4.1 42.7 1.0
CB B:CYS202 4.2 54.0 1.0
OD1 B:ASP146 4.2 46.8 1.0
ND1 B:HIS56 4.2 42.9 1.0
ND1 B:HIS120 4.3 51.5 1.0
CG B:HIS120 4.3 48.7 1.0
CG B:HIS56 4.3 43.5 1.0
ND1 B:HIS58 4.4 39.0 1.0
N B:ALA59 4.4 40.8 1.0
ND1 B:HIS196 4.5 39.1 1.0
CA B:HIS58 4.6 40.0 1.0

Reference:

K.Michalska, G.Chhor, M.E.Mandel, J.Bearden, A.Joachimiak, Midwest Center For Structural Genomics (Mcsg). Crystal Structure of Alicyclobacillus Acidocaldarius Protein with Beta-Lactamase and Rhodanese Domains To Be Published.
Page generated: Wed Dec 16 04:52:35 2020

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