Manganese in PDB 3a7j: Human MST3 Kinase in Complex with Mnadp

The structure of Human MST3 Kinase in Complex with Mnadp, PDB code: 3a7j was solved by T.P.Ko, W.Y.Jeng, C.I.Liu, M.D.Lai, A.H.J.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	47.816, 53.527, 60.634, 90.00, 109.95, 90.00
R / Rfree (%)	18.6 / 21

The binding sites of Manganese atom in the Human MST3 Kinase in Complex with Mnadp (pdb code 3a7j). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Human MST3 Kinase in Complex with Mnadp, PDB code: 3a7j:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Human MST3 Kinase in Complex with Mnadp


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Human MST3 Kinase in Complex with Mnadp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn501 b:32.1 occ:1.00 O A:HOH444 1.9 27.5 1.0 O A:HOH593 2.0 17.9 1.0 OD2 A:ASP162 2.1 25.2 1.0 O A:HOH588 2.2 25.0 1.0 O2A A:ADP500 2.2 30.9 1.0 OD1 A:ASN149 2.2 15.4 1.0 CG A:ASP162 3.2 23.5 1.0 CG A:ASN149 3.2 12.6 1.0 PA A:ADP500 3.5 27.5 1.0 CB A:ASP162 3.6 20.0 1.0 ND2 A:ASN149 3.6 16.7 1.0 O A:HOH591 3.8 28.4 1.0 O A:HOH521 3.9 37.1 1.0 O2B A:ADP500 3.9 37.2 1.0 O A:HOH345 4.1 49.7 1.0 O A:HOH625 4.1 29.2 1.0 OD1 A:ASP162 4.2 21.6 1.0 O3A A:ADP500 4.3 32.1 1.0 O A:HOH558 4.3 28.1 1.0 O A:ALA148 4.4 16.2 1.0 O5' A:ADP500 4.4 25.9 1.0 O1A A:ADP500 4.4 26.5 1.0 CB A:ASN149 4.5 14.4 1.0 PB A:ADP500 4.6 37.1 1.0 C5' A:ADP500 4.6 25.5 1.0 CA A:ASN149 4.8 14.2 1.0 C A:ALA148 4.9 14.0 1.0

Manganese binding site 2 out of 2 in the Human MST3 Kinase in Complex with Mnadp


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Human MST3 Kinase in Complex with Mnadp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn502 b:31.6 occ:1.00 O A:HOH344 2.0 38.7 1.0 O1B A:ADP500 2.0 32.4 1.0 O A:HOH521 2.1 37.1 1.0 O A:HOH633 2.1 47.2 1.0 O A:HOH635 2.1 26.9 1.0 OD1 A:ASP162 2.2 21.6 1.0 CG A:ASP162 3.1 23.5 1.0 PB A:ADP500 3.2 37.1 1.0 OD2 A:ASP162 3.5 25.2 1.0 O2B A:ADP500 3.7 37.2 1.0 O A:HOH442 3.9 27.7 1.0 O A:HOH590 4.0 40.6 1.0 O A:HOH343 4.2 48.9 1.0 O3A A:ADP500 4.3 32.1 1.0 NZ A:LYS53 4.4 34.2 1.0 O A:HOH593 4.4 17.9 1.0 O3B A:ADP500 4.4 37.4 1.0 N A:GLY164 4.4 18.8 1.0 CB A:ASP162 4.5 20.0 1.0 CA A:GLY164 4.5 20.0 1.0 OG A:SER34 4.7 57.4 1.0 CA A:ASP162 4.8 18.3 1.0 OE1 A:GLU70 4.9 32.3 1.0 C A:ASP162 4.9 17.1 1.0

T.P.Ko, W.Y.Jeng, C.I.Liu, M.D.Lai, C.L.Wu, W.J.Chang, H.L.Shr, T.J.Lu, A.H.J.Wang. Structures of Human MST3 Kinase in Complex with Adenine, Adp and MN2+. Acta Crystallogr.,Sect.D V. 66 145 2010.
ISSN: ISSN 0907-4449
PubMed: 20124694
DOI: 10.1107/S0907444909047507