Manganese in PDB 4dqw: Crystal Structure Analysis of PA3770

All present enzymatic activity of Crystal Structure Analysis of PA3770:
1.1.1.205;

The structure of Crystal Structure Analysis of PA3770, PDB code: 4dqw was solved by G.Labesse, H.Munier-Lehmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	54.92 / 2.51
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	108.960, 108.960, 194.390, 90.00, 90.00, 90.00
R / Rfree (%)	21.4 / 28.4

The binding sites of Manganese atom in the Crystal Structure Analysis of PA3770 (pdb code 4dqw). 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 Analysis of PA3770, PDB code: 4dqw:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the Crystal Structure Analysis of PA3770


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure Analysis of PA3770 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn502 b:38.8 occ:1.00 O1B A:ATP501 2.2 35.6 1.0 O1G A:ATP501 2.3 48.9 1.0 O2B A:ATP503 2.3 44.3 1.0 O1G A:ATP503 2.3 55.2 1.0 OE2 A:GLU180 2.5 42.4 1.0 PG A:ATP501 3.1 48.4 1.0 O2G A:ATP501 3.2 50.4 1.0 O3B A:ATP503 3.2 53.1 1.0 PB A:ATP503 3.3 47.8 1.0 PG A:ATP503 3.4 56.5 1.0 CD A:GLU180 3.5 42.8 1.0 PB A:ATP501 3.5 37.0 1.0 MN A:MN504 3.5 49.8 1.0 O3B A:ATP501 3.7 41.2 1.0 OE1 A:GLU180 3.7 45.6 1.0 O1B A:ATP503 4.2 48.5 1.0 O B:HOH700 4.3 24.4 1.0 NZ A:LYS181 4.3 34.9 1.0 O3A A:ATP501 4.3 35.8 1.0 O3G A:ATP503 4.4 60.1 1.0 O2G A:ATP503 4.5 56.5 1.0 O3G A:ATP501 4.5 51.9 1.0 O3A A:ATP503 4.6 48.1 1.0 O2B A:ATP501 4.7 30.1 1.0 CG A:GLU180 4.8 42.0 1.0 O1A A:ATP503 4.9 46.8 1.0

Manganese binding site 2 out of 4 in the Crystal Structure Analysis of PA3770


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure Analysis of PA3770 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn504 b:49.8 occ:1.00 OE1 A:GLU180 2.0 45.6 1.0 O1G A:ATP501 2.1 48.9 1.0 O1G A:ATP503 2.4 55.2 1.0 O B:HOH700 2.6 24.4 1.0 O1G B:ATP501 2.6 52.5 1.0 CD A:GLU180 3.0 42.8 1.0 O3G B:ATP501 3.2 52.8 1.0 PG B:ATP501 3.3 51.8 1.0 OE2 A:GLU180 3.4 42.4 1.0 PG A:ATP501 3.5 48.4 1.0 MN A:MN502 3.5 38.8 1.0 PG A:ATP503 3.7 56.5 1.0 O3G A:ATP501 3.8 51.9 1.0 O2G B:ATP501 3.9 54.8 1.0 NH2 B:ARG136 4.2 46.1 1.0 MN B:MN502 4.3 55.5 1.0 O2G A:ATP503 4.3 56.5 1.0 O3G A:ATP503 4.4 60.1 1.0 CG A:GLU180 4.4 42.0 1.0 O3B A:ATP501 4.4 41.2 1.0 O2G A:ATP501 4.6 50.4 1.0 O3B B:ATP501 4.7 51.5 1.0 O1B A:ATP501 4.7 35.6 1.0 CZ B:ARG136 4.7 47.5 1.0 NE B:ARG136 4.8 49.8 1.0 O3B A:ATP503 4.9 53.1 1.0

Manganese binding site 3 out of 4 in the Crystal Structure Analysis of PA3770


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Crystal Structure Analysis of PA3770 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn502 b:55.5 occ:1.00 O3G A:ATP501 1.9 51.9 1.0 O B:HOH654 1.9 32.4 1.0 O3G B:ATP501 2.0 52.8 1.0 OE2 B:GLU180 2.1 51.5 1.0 O1G B:ATP503 2.7 45.0 0.7 O B:HOH700 3.1 24.4 1.0 CD B:GLU180 3.2 51.7 1.0 PG B:ATP501 3.2 51.8 1.0 PG A:ATP501 3.2 48.4 1.0 MN B:MN504 3.3 54.0 1.0 O3B B:ATP501 3.4 51.5 1.0 OE1 B:GLU180 3.6 53.6 1.0 PG B:ATP503 3.6 46.6 0.7 O1G A:ATP501 3.8 48.9 1.0 O1G B:ATP501 3.9 52.5 1.0 O A:HOH699 3.9 36.3 1.0 O2G B:ATP503 3.9 44.9 0.7 O2G A:ATP501 3.9 50.4 1.0 NH1 A:ARG136 4.2 56.0 1.0 MN A:MN504 4.3 49.8 1.0 O3G B:ATP503 4.3 49.7 0.7 O3B A:ATP501 4.4 41.2 1.0 O2G B:ATP501 4.4 54.8 1.0 CG B:GLU180 4.5 49.7 1.0 NE A:ARG136 4.8 49.7 1.0 PB B:ATP501 4.9 53.8 1.0 CZ A:ARG136 5.0 53.1 1.0 NH2 B:ARG136 5.0 46.1 1.0

Manganese binding site 4 out of 4 in the Crystal Structure Analysis of PA3770


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Crystal Structure Analysis of PA3770 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn504 b:54.0 occ:1.00 O1G B:ATP503 1.8 45.0 0.7 OE1 B:GLU180 2.2 53.6 1.0 O2B B:ATP503 2.4 48.7 0.7 O3B B:ATP501 2.5 51.5 1.0 O1B B:ATP501 2.6 55.3 1.0 O3G B:ATP501 2.7 52.8 1.0 PG B:ATP501 3.0 51.8 1.0 PG B:ATP503 3.1 46.6 0.7 PB B:ATP501 3.1 53.8 1.0 CD B:GLU180 3.1 51.7 1.0 PB B:ATP503 3.2 48.4 0.7 O2G B:ATP501 3.3 54.8 1.0 MN B:MN502 3.3 55.5 1.0 O3B B:ATP503 3.4 49.2 0.7 OE2 B:GLU180 3.4 51.5 1.0 NZ B:LYS181 3.8 59.5 1.0 O1B B:ATP503 3.9 45.6 0.7 O2G B:ATP503 4.0 44.9 0.7 O3G B:ATP503 4.1 49.7 0.7 O2B B:ATP501 4.2 57.0 1.0 O3A B:ATP501 4.3 50.3 1.0 O B:HOH654 4.4 32.4 1.0 O1G B:ATP501 4.4 52.5 1.0 CG B:GLU180 4.5 49.7 1.0 O3A B:ATP503 4.7 52.3 0.7 O2A B:ATP503 4.7 57.0 0.7 O1A B:ATP501 4.9 49.8 1.0 CB B:GLU180 4.9 50.6 1.0 O B:HOH700 4.9 24.4 1.0 NH1 A:ARG136 5.0 56.0 1.0 CE B:LYS181 5.0 59.4 1.0

G.Labesse, T.Alexandre, L.Vaupre, I.Salard-Arnaud, J.L.Him, B.Raynal, P.Bron, H.Munier-Lehmann. Mgatp Regulates Allostery and Fiber Formation in Impdhs. Structure V. 21 975 2013.
ISSN: ISSN 0969-2126
PubMed: 23643948
DOI: 10.1016/J.STR.2013.03.011