Cobalt in PDB 4j5n: Crystal Structure of A Deinococcus Radiodurans Pte-Like Lactonase (Drpll) Mutant Y28L/D71N/E101G/E179D/V235L/L270M

The structure of Crystal Structure of A Deinococcus Radiodurans Pte-Like Lactonase (Drpll) Mutant Y28L/D71N/E101G/E179D/V235L/L270M, PDB code: 4j5n was solved by M.M.Meier, C.Rajendran, C.Malisi, N.G.Fox, C.Xu, S.Schlee, D.P.Barondeau, B.Hocker, R.Sterner, F.M.Raushel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.05
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	61.655, 61.655, 203.670, 90.00, 90.00, 120.00
R / Rfree (%)	23.5 / 26.1

The binding sites of Cobalt atom in the Crystal Structure of A Deinococcus Radiodurans Pte-Like Lactonase (Drpll) Mutant Y28L/D71N/E101G/E179D/V235L/L270M (pdb code 4j5n). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 2 binding sites of Cobalt where determined in the Crystal Structure of A Deinococcus Radiodurans Pte-Like Lactonase (Drpll) Mutant Y28L/D71N/E101G/E179D/V235L/L270M, PDB code: 4j5n:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in the Crystal Structure of A Deinococcus Radiodurans Pte-Like Lactonase (Drpll) Mutant Y28L/D71N/E101G/E179D/V235L/L270M


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 A Deinococcus Radiodurans Pte-Like Lactonase (Drpll) Mutant Y28L/D71N/E101G/E179D/V235L/L270M within 5.0Å range: probe atom residue distance (Å) B Occ A:Co401 b:34.4 occ:1.00 O A:HOH688 1.7 28.6 1.0 NE2 A:HIS23 2.0 33.0 1.0 OD1 A:ASP264 2.2 29.1 1.0 NE2 A:HIS21 2.3 40.3 1.0 OQ2 A:KCX143 2.3 36.8 1.0 CE1 A:HIS23 2.8 32.3 1.0 CX A:KCX143 3.0 34.4 1.0 CD2 A:HIS21 3.1 39.8 1.0 CG A:ASP264 3.1 28.1 1.0 CD2 A:HIS23 3.2 30.8 1.0 O A:HOH703 3.2 46.7 1.0 OQ1 A:KCX143 3.2 31.7 1.0 CE1 A:HIS21 3.4 40.1 1.0 OD2 A:ASP264 3.4 30.4 1.0 CO A:CO402 3.6 37.2 1.0 ND1 A:HIS23 4.0 31.2 1.0 NZ A:KCX143 4.1 34.2 1.0 CG A:HIS23 4.2 32.9 1.0 CE1 A:HIS204 4.3 30.8 1.0 CG A:HIS21 4.3 38.8 1.0 NE2 A:HIS204 4.4 31.6 1.0 ND1 A:HIS21 4.4 37.7 1.0 CB A:ASP264 4.4 28.3 1.0 CB A:ALA67 4.6 26.7 1.0 O A:HOH520 4.7 56.0 1.0 O A:HOH622 4.8 56.3 1.0 CA A:ASP264 4.9 29.5 1.0

Cobalt binding site 2 out of 2 in the Crystal Structure of A Deinococcus Radiodurans Pte-Like Lactonase (Drpll) Mutant Y28L/D71N/E101G/E179D/V235L/L270M


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 A Deinococcus Radiodurans Pte-Like Lactonase (Drpll) Mutant Y28L/D71N/E101G/E179D/V235L/L270M within 5.0Å range: probe atom residue distance (Å) B Occ A:Co402 b:37.2 occ:1.00 NE2 A:HIS204 2.1 31.6 1.0 OQ1 A:KCX143 2.1 31.7 1.0 ND1 A:HIS176 2.2 42.2 1.0 O A:HOH688 2.3 28.6 1.0 O A:HOH622 2.5 56.3 1.0 CD2 A:HIS204 3.0 32.7 1.0 CE1 A:HIS204 3.1 30.8 1.0 CG A:HIS176 3.1 39.8 1.0 CE1 A:HIS176 3.1 42.2 1.0 CX A:KCX143 3.2 34.4 1.0 CB A:HIS176 3.4 38.3 1.0 OQ2 A:KCX143 3.6 36.8 1.0 CO A:CO401 3.6 34.4 1.0 OH A:TYR97 3.8 64.8 1.0 CE1 A:TYR97 3.9 61.8 1.0 O A:HOH703 4.0 46.7 1.0 OD2 A:ASP264 4.2 30.4 1.0 ND1 A:HIS204 4.2 31.6 1.0 CG A:HIS204 4.2 33.4 1.0 NE2 A:HIS176 4.2 42.3 1.0 CD2 A:HIS176 4.2 41.3 1.0 NE2 A:HIS21 4.3 40.3 1.0 CA A:HIS176 4.3 36.6 1.0 NZ A:KCX143 4.3 34.2 1.0 CZ A:TYR97 4.3 62.3 1.0 CE1 A:HIS21 4.4 40.1 1.0 CE A:KCX143 4.7 33.5 1.0 OD1 A:ASP264 4.9 29.1 1.0 CG A:ASP264 4.9 28.1 1.0

M.M.Meier, C.Rajendran, C.Malisi, N.G.Fox, C.Xu, S.Schlee, D.P.Barondeau, B.Hocker, R.Sterner, F.M.Raushel. Molecular Engineering of Organophosphate Hydrolysis Activity From A Weak Promiscuous Lactonase Template. J.Am.Chem.Soc. V. 135 11670 2013.
ISSN: ISSN 0002-7863
PubMed: 23837603
DOI: 10.1021/JA405911H