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Barium in PDB 4zwu: Crystal Structure of Organophosphate Anhydrolase/Prolidase Mutant Y212F, V342L, I215Y

Enzymatic activity of Crystal Structure of Organophosphate Anhydrolase/Prolidase Mutant Y212F, V342L, I215Y

All present enzymatic activity of Crystal Structure of Organophosphate Anhydrolase/Prolidase Mutant Y212F, V342L, I215Y:
3.1.8.1; 3.1.8.2; 3.4.13.9;

Protein crystallography data

The structure of Crystal Structure of Organophosphate Anhydrolase/Prolidase Mutant Y212F, V342L, I215Y, PDB code: 4zwu was solved by C.M.Daczkowski, S.D.Pegan, S.P.Harvey, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.47 / 2.20
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 102.890, 68.846, 139.394, 90.00, 109.58, 90.00
R / Rfree (%) 17 / 21.9

Other elements in 4zwu:

The structure of Crystal Structure of Organophosphate Anhydrolase/Prolidase Mutant Y212F, V342L, I215Y also contains other interesting chemical elements:

Manganese (Mn) 6 atoms

Barium Binding Sites:

The binding sites of Barium atom in the Crystal Structure of Organophosphate Anhydrolase/Prolidase Mutant Y212F, V342L, I215Y (pdb code 4zwu). This binding sites where shown within 5.0 Angstroms radius around Barium atom.
In total 2 binding sites of Barium where determined in the Crystal Structure of Organophosphate Anhydrolase/Prolidase Mutant Y212F, V342L, I215Y, PDB code: 4zwu:
Jump to Barium binding site number: 1; 2;

Barium binding site 1 out of 2 in 4zwu

Go back to Barium Binding Sites List in 4zwu
Barium binding site 1 out of 2 in the Crystal Structure of Organophosphate Anhydrolase/Prolidase Mutant Y212F, V342L, I215Y


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 1 of Crystal Structure of Organophosphate Anhydrolase/Prolidase Mutant Y212F, V342L, I215Y within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ba503

b:60.3
occ:1.00
OD1 A:ASP29 2.8 60.2 1.0
O A:HOH772 2.8 64.2 1.0
OD2 A:ASP29 3.0 48.7 1.0
CG A:ASP29 3.2 55.9 1.0
MN A:MN504 4.2 0.8 1.0
CB A:ASP29 4.7 54.9 1.0

Barium binding site 2 out of 2 in 4zwu

Go back to Barium Binding Sites List in 4zwu
Barium binding site 2 out of 2 in the Crystal Structure of Organophosphate Anhydrolase/Prolidase Mutant Y212F, V342L, I215Y


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 2 of Crystal Structure of Organophosphate Anhydrolase/Prolidase Mutant Y212F, V342L, I215Y within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ba506

b:0.5
occ:1.00
O B:HOH612 2.8 50.8 1.0
OD1 B:ASN27 2.9 77.3 1.0
O B:HOH753 3.2 65.5 1.0
CG B:ASN27 4.0 74.3 1.0
OE1 B:GLU24 4.7 93.7 1.0
ND2 B:ASN27 4.8 75.9 1.0
CB B:ASN27 4.9 69.9 1.0

Reference:

C.M.Daczkowski, S.D.Pegan, S.P.Harvey. Engineering the Organophosphorus Acid Anhydrolase Enzyme For Increased Catalytic Efficiency and Broadened Stereospecificity on Russian Vx. Biochemistry V. 54 6423 2015.
ISSN: ISSN 0006-2960
PubMed: 26418828
DOI: 10.1021/ACS.BIOCHEM.5B00624
Page generated: Sat Dec 12 01:57:14 2020

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