Cobalt in PDB 4zst: Crystal Structure of Brevundimonas Diminuta Phosphotriesterase Mutant L7EP-3A

All present enzymatic activity of Crystal Structure of Brevundimonas Diminuta Phosphotriesterase Mutant L7EP-3A:
3.1.8.1;

The structure of Crystal Structure of Brevundimonas Diminuta Phosphotriesterase Mutant L7EP-3A, PDB code: 4zst was solved by M.F.Mabanglo, F.M.Raushel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.61 / 2.01
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	45.528, 80.638, 78.726, 90.00, 106.60, 90.00
R / Rfree (%)	15.8 / 21.4

The binding sites of Cobalt atom in the Crystal Structure of Brevundimonas Diminuta Phosphotriesterase Mutant L7EP-3A (pdb code 4zst). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 4 binding sites of Cobalt where determined in the Crystal Structure of Brevundimonas Diminuta Phosphotriesterase Mutant L7EP-3A, PDB code: 4zst:
Jump to Cobalt binding site number: 1; 2; 3; 4;

Cobalt binding site 1 out of 4 in the Crystal Structure of Brevundimonas Diminuta Phosphotriesterase Mutant L7EP-3A


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Crystal Structure of Brevundimonas Diminuta Phosphotriesterase Mutant L7EP-3A within 5.0Å range: probe atom residue distance (Å) B Occ A:Co401 b:27.5 occ:1.00 O A:HOH523 1.8 40.8 1.0 NE2 A:HIS57 2.0 16.4 1.0 NE2 A:HIS55 2.2 23.9 1.0 OD1 A:ASP301 2.3 23.5 1.0 OQ2 A:KCX169 2.4 33.6 1.0 CE1 A:HIS57 2.9 24.4 1.0 CG A:ASP301 3.0 20.6 1.0 CD2 A:HIS55 3.1 21.3 1.0 CD2 A:HIS57 3.1 16.4 1.0 CX A:KCX169 3.1 27.5 1.0 OD2 A:ASP301 3.1 19.7 1.0 CE1 A:HIS55 3.3 22.0 1.0 OQ1 A:KCX169 3.5 27.3 1.0 CO A:CO402 3.6 34.3 1.0 CG2 A:VAL101 4.0 18.3 1.0 ND1 A:HIS57 4.1 18.8 1.0 NZ A:KCX169 4.2 27.1 1.0 CE1 A:HIS230 4.2 21.8 1.0 CG A:HIS57 4.2 19.0 1.0 CG A:HIS55 4.3 18.3 1.0 ND1 A:HIS55 4.4 18.6 1.0 CB A:ASP301 4.4 22.8 1.0 NE2 A:HIS230 4.4 23.4 1.0 CA A:ASP301 4.9 21.7 1.0

Cobalt binding site 2 out of 4 in the Crystal Structure of Brevundimonas Diminuta Phosphotriesterase Mutant L7EP-3A


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of Crystal Structure of Brevundimonas Diminuta Phosphotriesterase Mutant L7EP-3A within 5.0Å range: probe atom residue distance (Å) B Occ A:Co402 b:34.3 occ:1.00 OQ1 A:KCX169 1.8 27.3 1.0 ND1 A:HIS201 2.1 22.3 1.0 NE2 A:HIS230 2.1 23.4 1.0 O A:HOH523 2.5 40.8 1.0 CX A:KCX169 2.9 27.5 1.0 CE1 A:HIS201 3.1 24.2 1.0 CG A:HIS201 3.1 21.9 1.0 CE1 A:HIS230 3.1 21.8 1.0 CD2 A:HIS230 3.1 18.6 1.0 OQ2 A:KCX169 3.2 33.6 1.0 CB A:HIS201 3.4 20.2 1.0 CO A:CO401 3.6 27.5 1.0 NE1 A:TRP131 3.7 28.4 1.0 NZ A:KCX169 4.1 27.1 1.0 NE2 A:HIS201 4.2 25.2 1.0 ND1 A:HIS230 4.2 20.8 1.0 CE1 A:HIS55 4.2 22.0 1.0 CD2 A:HIS201 4.2 22.0 1.0 NE2 A:HIS55 4.2 23.9 1.0 CG A:HIS230 4.3 19.1 1.0 CA A:HIS201 4.3 19.9 1.0 OD2 A:ASP301 4.5 19.7 1.0 CE A:KCX169 4.5 27.2 1.0 CD1 A:TRP131 4.6 27.8 1.0 CE2 A:TRP131 4.7 32.3 1.0 CZ2 A:TRP131 4.9 32.7 1.0

Cobalt binding site 3 out of 4 in the Crystal Structure of Brevundimonas Diminuta Phosphotriesterase Mutant L7EP-3A


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 3 of Crystal Structure of Brevundimonas Diminuta Phosphotriesterase Mutant L7EP-3A within 5.0Å range: probe atom residue distance (Å) B Occ B:Co401 b:32.3 occ:1.00 OQ1 B:KCX169 1.7 33.8 1.0 NE2 B:HIS230 2.0 22.9 1.0 ND1 B:HIS201 2.1 28.8 1.0 O B:HOH519 2.5 42.9 1.0 CX B:KCX169 2.7 34.5 1.0 CE1 B:HIS230 3.0 20.7 1.0 CE1 B:HIS201 3.0 30.3 1.0 OQ2 B:KCX169 3.1 39.7 1.0 CD2 B:HIS230 3.1 19.8 1.0 CG B:HIS201 3.2 25.1 1.0 CB B:HIS201 3.5 20.1 1.0 CO B:CO402 3.7 26.1 1.0 NZ B:KCX169 3.9 31.1 1.0 NE1 B:TRP131 3.9 23.6 1.0 ND1 B:HIS230 4.1 22.0 1.0 NE2 B:HIS201 4.2 27.5 1.0 CG B:HIS230 4.2 20.2 1.0 CE1 B:HIS55 4.2 25.5 1.0 NE2 B:HIS55 4.2 23.7 1.0 CD2 B:HIS201 4.3 25.1 1.0 CA B:HIS201 4.3 20.6 1.0 OD2 B:ASP301 4.5 20.0 1.0 CE B:KCX169 4.5 24.5 1.0 NE2 B:GLN254 4.8 30.5 1.0 CD1 B:TRP131 4.8 21.9 1.0 CE2 B:TRP131 4.9 28.1 1.0

Cobalt binding site 4 out of 4 in the Crystal Structure of Brevundimonas Diminuta Phosphotriesterase Mutant L7EP-3A


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 4 of Crystal Structure of Brevundimonas Diminuta Phosphotriesterase Mutant L7EP-3A within 5.0Å range: probe atom residue distance (Å) B Occ B:Co402 b:26.1 occ:1.00 O B:HOH519 1.9 42.9 1.0 OQ2 B:KCX169 1.9 39.7 1.0 NE2 B:HIS57 2.0 18.4 1.0 NE2 B:HIS55 2.1 23.7 1.0 OD1 B:ASP301 2.2 30.2 1.0 CE1 B:HIS57 2.9 23.0 1.0 CX B:KCX169 2.9 34.5 1.0 CD2 B:HIS55 3.0 19.2 1.0 CG B:ASP301 3.1 24.1 1.0 CD2 B:HIS57 3.1 19.2 1.0 CE1 B:HIS55 3.1 25.5 1.0 OD2 B:ASP301 3.3 20.0 1.0 OQ1 B:KCX169 3.4 33.8 1.0 CO B:CO401 3.7 32.3 1.0 NZ B:KCX169 3.9 31.1 1.0 ND1 B:HIS57 4.1 19.5 1.0 CG2 B:VAL101 4.1 23.5 1.0 CG B:HIS55 4.2 21.3 1.0 ND1 B:HIS55 4.2 21.8 1.0 CG B:HIS57 4.2 20.3 1.0 CE1 B:HIS230 4.2 20.7 1.0 CB B:ASP301 4.4 21.4 1.0 NE2 B:HIS230 4.5 22.9 1.0 CA B:ASP301 4.9 18.3 1.0

A.N.Bigley, M.F.Mabanglo, S.P.Harvey, F.M.Raushel. Variants of Phosphotriesterase For the Enhanced Detoxification of the Chemical Warfare Agent Vr. Biochemistry V. 54 5502 2015.
ISSN: ISSN 0006-2960
PubMed: 26274608
DOI: 10.1021/ACS.BIOCHEM.5B00629