Manganese in PDB 1w2d: Human Inositol (1,4,5)-Trisphosphate 3-Kinase Complexed with MN2+/Adp/Ins(1,3,4,5)P4

All present enzymatic activity of Human Inositol (1,4,5)-Trisphosphate 3-Kinase Complexed with MN2+/Adp/Ins(1,3,4,5)P4:
2.1.7.127;

The structure of Human Inositol (1,4,5)-Trisphosphate 3-Kinase Complexed with MN2+/Adp/Ins(1,3,4,5)P4, PDB code: 1w2d was solved by B.Gonzalez, M.J.Schell, R.F.Irvine, R.L.Williams, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.80 / 1.94
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	72.054, 97.411, 190.844, 90.00, 90.00, 90.00
R / Rfree (%)	22.6 / 26.7

The binding sites of Manganese atom in the Human Inositol (1,4,5)-Trisphosphate 3-Kinase Complexed with MN2+/Adp/Ins(1,3,4,5)P4 (pdb code 1w2d). 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 Inositol (1,4,5)-Trisphosphate 3-Kinase Complexed with MN2+/Adp/Ins(1,3,4,5)P4, PDB code: 1w2d:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Human Inositol (1,4,5)-Trisphosphate 3-Kinase Complexed with MN2+/Adp/Ins(1,3,4,5)P4


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Human Inositol (1,4,5)-Trisphosphate 3-Kinase Complexed with MN2+/Adp/Ins(1,3,4,5)P4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1464 b:51.3 occ:0.50 O5P A:4IP1463 2.4 55.4 1.0 OD2 A:ASP416 2.8 29.6 1.0 O2A A:ADP1462 2.8 29.8 1.0 O A:HOH2105 2.9 24.0 1.0 O1B A:ADP1462 3.1 46.0 1.0 P3 A:4IP1463 3.4 60.1 1.0 O A:HOH2060 3.6 35.2 1.0 O4P A:4IP1463 3.6 58.1 1.0 O3B A:ADP1462 3.7 45.8 1.0 O A:HOH2127 3.8 29.8 1.0 CG A:ASP416 3.9 24.1 1.0 PB A:ADP1462 3.9 47.8 1.0 O6P A:4IP1463 3.9 54.3 1.0 PA A:ADP1462 4.1 34.4 1.0 O A:HOH2125 4.2 51.3 1.0 O3A A:ADP1462 4.4 38.3 1.0 CB A:ASP416 4.4 20.5 1.0 O A:GLY397 4.6 22.3 1.0 O3 A:4IP1463 4.8 54.3 1.0 NZ A:LYS264 4.9 31.1 1.0 CE A:LYS264 4.9 28.4 1.0 OD1 A:ASP416 4.9 25.5 1.0

Manganese binding site 2 out of 2 in the Human Inositol (1,4,5)-Trisphosphate 3-Kinase Complexed with MN2+/Adp/Ins(1,3,4,5)P4


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Human Inositol (1,4,5)-Trisphosphate 3-Kinase Complexed with MN2+/Adp/Ins(1,3,4,5)P4 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn1464 b:42.6 occ:0.50 O2A B:ADP1462 2.2 37.7 1.0 OD2 B:ASP416 2.3 31.7 1.0 O B:HOH2129 2.4 35.4 1.0 O2B B:ADP1462 3.0 49.2 1.0 O5P B:4IP1463 3.1 55.6 0.7 O1B B:ADP1462 3.3 52.2 1.0 CG B:ASP416 3.4 29.4 1.0 PA B:ADP1462 3.5 37.3 1.0 PB B:ADP1462 3.6 52.1 1.0 O3A B:ADP1462 3.9 45.8 1.0 CB B:ASP416 3.9 26.1 1.0 P3 B:4IP1463 4.3 58.5 0.7 O B:GLY397 4.3 22.7 1.0 O B:HOH2127 4.4 48.6 1.0 OD1 B:ASP416 4.4 31.3 1.0 O1A B:ADP1462 4.5 39.5 1.0 O5' B:ADP1462 4.6 34.7 1.0 O4P B:4IP1463 4.6 57.6 0.7 OG B:SER399 4.7 23.2 1.0 C5' B:ADP1462 4.9 36.9 1.0

B.Gonzalez, M.J.Schell, A.J.Letcher, D.B.Veprintsev, R.F.Irvine, R.L.Williams. Structure of A Human Inositol 1,4,5-Trisphosphate 3-Kinase; Substrate Binding Reveals Why It Is Not A Phosphoinositide 3-Kinase Mol.Cell V. 15 689 2004.
ISSN: ISSN 1097-2765
PubMed: 15350214
DOI: 10.1016/J.MOLCEL.2004.08.004