Manganese in PDB 3niq: Crystal Structure of Pseudomonas Aeruginosa Guanidinopropionase

All present enzymatic activity of Crystal Structure of Pseudomonas Aeruginosa Guanidinopropionase:
3.5.3.17;

The structure of Crystal Structure of Pseudomonas Aeruginosa Guanidinopropionase, PDB code: 3niq was solved by S.J.Lee, H.S.Kim, D.J.Kim, H.J.Yoon, K.H.Kim, J.Y.Yoon, J.Y.Jang, H.Im, D.An, S.W.Suh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.07
Space group	P 21 3
Cell size a, b, c (Å), α, β, γ (°)	123.961, 123.961, 123.961, 90.00, 90.00, 90.00
R / Rfree (%)	18.5 / 22.8

The binding sites of Manganese atom in the Crystal Structure of Pseudomonas Aeruginosa Guanidinopropionase (pdb code 3niq). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the Crystal Structure of Pseudomonas Aeruginosa Guanidinopropionase, PDB code: 3niq:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the Crystal Structure of Pseudomonas Aeruginosa Guanidinopropionase


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 Aeruginosa Guanidinopropionase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1601 b:24.5 occ:1.00 OD2 A:ASP240 2.2 19.5 1.0 OD2 A:ASP152 2.2 21.5 1.0 OD2 A:ASP148 2.2 19.0 1.0 ND1 A:HIS126 2.2 17.6 1.0 O A:HOH367 2.4 24.9 1.0 CG A:ASP148 3.1 18.4 1.0 CG A:HIS126 3.2 20.6 1.0 CG A:ASP152 3.2 23.6 1.0 MN A:MN1602 3.2 24.4 1.0 CG A:ASP240 3.2 18.5 1.0 CE1 A:HIS126 3.2 21.0 1.0 OD1 A:ASP148 3.4 16.3 1.0 CB A:HIS126 3.4 18.0 1.0 OD1 A:ASP152 3.4 22.0 1.0 CB A:ASP240 3.6 15.8 1.0 OD1 A:ASP240 4.3 20.2 1.0 CD2 A:HIS126 4.3 17.7 1.0 NE2 A:HIS126 4.3 18.9 1.0 NE2 A:HIS146 4.4 20.7 1.0 CG A:GLU284 4.5 17.2 1.0 CB A:ASP148 4.5 16.9 1.0 CB A:ASP152 4.5 21.4 1.0 O A:HIS165 4.6 22.4 1.0 OE2 A:GLU284 4.6 18.2 1.0 O A:HIS150 4.8 19.7 1.0 CA A:HIS126 4.8 18.9 1.0 OD2 A:ASP242 4.9 21.4 1.0 CG2 A:VAL283 4.9 13.3 1.0

Manganese binding site 2 out of 4 in the Crystal Structure of Pseudomonas Aeruginosa Guanidinopropionase


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 Aeruginosa Guanidinopropionase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1602 b:24.4 occ:1.00 OD1 A:ASP148 2.1 16.3 1.0 O A:HOH367 2.2 24.9 1.0 OD2 A:ASP242 2.3 21.4 1.0 OD2 A:ASP240 2.3 19.5 1.0 ND1 A:HIS150 2.4 20.9 1.0 OD1 A:ASP242 2.5 17.1 1.0 CG A:ASP242 2.7 19.5 1.0 CG A:ASP148 3.1 18.4 1.0 CG A:ASP240 3.2 18.5 1.0 MN A:MN1601 3.2 24.5 1.0 CE1 A:HIS150 3.3 22.6 1.0 OD2 A:ASP148 3.4 19.0 1.0 CG A:HIS150 3.5 21.9 1.0 OD1 A:ASP240 3.6 20.2 1.0 CB A:HIS150 3.8 20.7 1.0 N A:HIS150 3.9 20.1 1.0 N A:ALA149 4.1 18.7 1.0 CB A:ASP240 4.2 15.8 1.0 CB A:ASP242 4.2 16.1 1.0 CA A:HIS150 4.4 20.5 1.0 NE2 A:HIS150 4.4 23.9 1.0 CB A:ASP148 4.5 16.9 1.0 OD1 A:ASP152 4.5 22.0 1.0 CD2 A:HIS150 4.6 19.7 1.0 O A:HOH331 4.6 20.6 1.0 CB A:ALA149 4.7 18.3 1.0 C A:ALA149 4.7 19.8 1.0 OD2 A:ASP152 4.7 21.5 1.0 CA A:ALA149 4.7 19.8 1.0 O A:HIS150 4.8 19.7 1.0 CA A:ASP148 4.8 16.9 1.0 C A:ASP148 4.9 18.4 1.0

Manganese binding site 3 out of 4 in the Crystal Structure of Pseudomonas Aeruginosa Guanidinopropionase


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Crystal Structure of Pseudomonas Aeruginosa Guanidinopropionase within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn1603 b:31.2 occ:1.00 OD2 B:ASP152 2.2 29.3 1.0 OD2 B:ASP148 2.2 24.4 1.0 OD2 B:ASP240 2.2 27.9 1.0 ND1 B:HIS126 2.2 26.4 1.0 O B:HOH371 2.4 34.5 1.0 CG B:ASP148 3.1 25.9 1.0 CG B:ASP152 3.1 30.4 1.0 CG B:HIS126 3.2 25.9 1.0 CE1 B:HIS126 3.2 25.3 1.0 MN B:MN1604 3.2 30.2 1.0 CG B:ASP240 3.3 27.3 1.0 OD1 B:ASP148 3.4 29.1 1.0 OD1 B:ASP152 3.4 27.2 1.0 CB B:HIS126 3.5 25.2 1.0 CB B:ASP240 3.7 25.2 1.0 NE2 B:HIS126 4.2 26.2 1.0 CD2 B:HIS126 4.3 25.6 1.0 OD1 B:ASP240 4.3 28.2 1.0 NE2 B:HIS146 4.4 29.4 1.0 CB B:ASP152 4.5 29.2 1.0 CB B:ASP148 4.5 27.5 1.0 O B:HIS165 4.5 27.2 1.0 CG B:GLU284 4.5 24.1 1.0 OE2 B:GLU284 4.6 29.2 1.0 O B:HIS150 4.8 27.7 1.0 CA B:HIS126 4.9 26.2 1.0 OD2 B:ASP242 5.0 25.1 1.0 CE1 B:HIS146 5.0 30.9 1.0 ND1 B:HIS150 5.0 31.1 1.0

Manganese binding site 4 out of 4 in the Crystal Structure of Pseudomonas Aeruginosa Guanidinopropionase


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Crystal Structure of Pseudomonas Aeruginosa Guanidinopropionase within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn1604 b:30.2 occ:1.00 O B:HOH371 2.2 34.5 1.0 OD1 B:ASP148 2.2 29.1 1.0 OD2 B:ASP242 2.3 25.1 1.0 OD2 B:ASP240 2.3 27.9 1.0 ND1 B:HIS150 2.3 31.1 1.0 OD1 B:ASP242 2.5 28.0 1.0 CG B:ASP242 2.8 26.2 1.0 CE1 B:HIS150 3.1 32.1 1.0 CG B:ASP240 3.1 27.3 1.0 MN B:MN1603 3.2 31.2 1.0 CG B:ASP148 3.2 25.9 1.0 CG B:HIS150 3.4 31.7 1.0 OD2 B:ASP148 3.5 24.4 1.0 OD1 B:ASP240 3.6 28.2 1.0 CB B:HIS150 3.8 30.0 1.0 N B:HIS150 3.9 29.4 1.0 N B:ALA149 4.2 28.9 1.0 CB B:ASP240 4.2 25.2 1.0 CB B:ASP242 4.3 23.7 1.0 NE2 B:HIS150 4.3 32.0 1.0 OD1 B:ASP152 4.4 27.2 1.0 CA B:HIS150 4.5 29.2 1.0 CD2 B:HIS150 4.5 32.6 1.0 CB B:ASP148 4.5 27.5 1.0 CB B:ALA149 4.6 28.6 1.0 OD2 B:ASP152 4.7 29.3 1.0 O B:HOH363 4.7 21.3 1.0 C B:ALA149 4.7 29.4 1.0 CA B:ALA149 4.7 28.9 1.0 O B:HIS150 4.8 27.7 1.0 CA B:ASP148 4.9 27.2 1.0 C B:ASP148 5.0 28.5 1.0 CG B:ASP152 5.0 30.4 1.0

S.J.Lee, D.J.Kim, H.S.Kim, B.I.Lee, H.J.Yoon, J.Y.Yoon, K.H.Kim, J.Y.Jang, H.N.Im, D.R.An, J.S.Song, H.J.Kim, S.W.Suh. Crystal Structures of Pseudomonas Aeruginosa Guanidinobutyrase and Guanidinopropionase, Members of the Ureohydrolase Superfamily J.Struct.Biol. V. 175 329 2011.
ISSN: ISSN 1047-8477
PubMed: 21600989
DOI: 10.1016/J.JSB.2011.05.002