Manganese in PDB 1nu5: Crystal Structure of Pseudomonas Sp. P51 Chloromuconate Lactonizing Enzyme

All present enzymatic activity of Crystal Structure of Pseudomonas Sp. P51 Chloromuconate Lactonizing Enzyme:
5.5.1.7;

The structure of Crystal Structure of Pseudomonas Sp. P51 Chloromuconate Lactonizing Enzyme, PDB code: 1nu5 was solved by T.Kajander, L.Lehtio, A.Goldman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.45 / 1.95
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	135.355, 135.355, 105.033, 90.00, 90.00, 90.00
R / Rfree (%)	20 / 23.1

The binding sites of Manganese atom in the Crystal Structure of Pseudomonas Sp. P51 Chloromuconate Lactonizing Enzyme (pdb code 1nu5). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Crystal Structure of Pseudomonas Sp. P51 Chloromuconate Lactonizing Enzyme, PDB code: 1nu5:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of Pseudomonas Sp. P51 Chloromuconate Lactonizing Enzyme


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of Pseudomonas Sp. P51 Chloromuconate Lactonizing Enzyme within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn371 b:27.3 occ:1.00 OE2 A:GLU220 2.1 24.3 1.0 OD2 A:ASP245 2.2 25.4 1.0 O A:HOH455 2.3 24.2 1.0 OD2 A:ASP194 2.3 24.8 1.0 O A:HOH462 2.3 35.6 1.0 O A:HOH456 2.5 27.0 1.0 CD A:GLU220 3.0 22.7 1.0 CG A:ASP245 3.2 26.3 1.0 CG A:ASP194 3.2 22.7 1.0 OD1 A:ASP194 3.5 22.6 1.0 CB A:ASP245 3.6 23.6 1.0 CG A:GLU220 3.8 20.4 1.0 OE1 A:GLU220 3.8 22.1 1.0 O A:HOH422 3.8 23.2 1.0 NZ A:LYS163 4.0 30.0 1.0 OE1 A:GLU246 4.0 31.9 1.0 OD1 A:ASN196 4.1 36.0 1.0 OE2 A:GLU246 4.1 25.4 1.0 NZ A:LYS269 4.3 30.0 1.0 O A:HOH586 4.3 41.0 1.0 OD1 A:ASP245 4.3 25.9 1.0 CD A:GLU246 4.5 27.9 1.0 CB A:ASP194 4.6 23.1 1.0 NE1 A:TRP55 4.6 98.1 1.0 CB A:GLU220 5.0 22.6 1.0 CG A:ASN196 5.0 34.9 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of Pseudomonas Sp. P51 Chloromuconate Lactonizing Enzyme


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of Pseudomonas Sp. P51 Chloromuconate Lactonizing Enzyme within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn372 b:22.9 occ:1.00 O A:ASN238 2.2 21.2 1.0 O A:THR235 2.2 21.2 1.0 O A:HOH421 2.2 21.0 1.0 O A:HOH454 2.2 21.1 1.0 O A:HOH430 2.2 20.1 1.0 O A:HOH451 2.3 22.8 1.0 C A:THR235 3.3 20.5 1.0 C A:ASN238 3.4 21.8 1.0 OD2 A:ASP264 4.0 24.1 1.0 CA A:THR235 4.0 20.2 1.0 CG2 A:THR235 4.1 19.4 1.0 OD1 A:ASP264 4.1 22.5 1.0 O A:GLY239 4.2 19.5 1.0 N A:ASN238 4.2 22.5 1.0 CA A:GLY239 4.3 21.0 1.0 N A:GLY239 4.3 20.4 1.0 CA A:ASN238 4.3 23.0 1.0 C A:GLY239 4.4 20.8 1.0 O A:VAL240 4.4 21.3 1.0 N A:GLU236 4.4 19.3 1.0 CG A:ASP264 4.5 23.7 1.0 O A:HOH517 4.6 50.1 1.0 C A:GLU236 4.6 22.7 1.0 CA A:GLU236 4.7 21.7 1.0 O A:GLU236 4.7 24.1 1.0 CB A:THR235 4.7 19.7 1.0 O A:LEU234 4.9 22.6 1.0 CB A:ASN238 4.9 23.4 1.0

T.Kajander, L.Lehtio, M.Schlomann, A.Goldman. The Structure of Pseudomonas P51 Cl-Muconate Lactonizing Enzyme: Co-Evolution of Structure and Dynamics with the Dehalogenation Function. Protein Sci. V. 12 1855 2003.
ISSN: ISSN 0961-8368
PubMed: 12930985
DOI: 10.1110/PS.0388503