Manganese in PDB 1w2c: Human Inositol (1,4,5) Trisphosphate 3-Kinase Complexed with MN2+/Amppnp/Ins(1,4,5)P3

All present enzymatic activity of Human Inositol (1,4,5) Trisphosphate 3-Kinase Complexed with MN2+/Amppnp/Ins(1,4,5)P3:
2.1.7.127;

The structure of Human Inositol (1,4,5) Trisphosphate 3-Kinase Complexed with MN2+/Amppnp/Ins(1,4,5)P3, PDB code: 1w2c 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 / 1.95
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	72.063, 97.517, 191.204, 90.00, 90.00, 90.00
R / Rfree (%)	19.9 / 24.3

The binding sites of Manganese atom in the Human Inositol (1,4,5) Trisphosphate 3-Kinase Complexed with MN2+/Amppnp/Ins(1,4,5)P3 (pdb code 1w2c). 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+/Amppnp/Ins(1,4,5)P3, PDB code: 1w2c:
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+/Amppnp/Ins(1,4,5)P3


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+/Amppnp/Ins(1,4,5)P3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1464 b:64.5 occ:0.50 O1A A:ANP1462 2.1 45.0 1.0 OD2 A:ASP416 2.2 23.4 1.0 O A:HOH2165 2.3 27.1 1.0 O1G A:ANP1462 2.5 76.7 1.0 N3B A:ANP1462 2.9 71.2 1.0 CG A:ASP416 3.1 15.7 1.0 PG A:ANP1462 3.1 76.0 1.0 O A:HOH2032 3.2 54.0 1.0 PA A:ANP1462 3.5 47.4 1.0 O2G A:ANP1462 3.5 75.2 1.0 CB A:ASP416 3.5 11.6 1.0 O A:HOH2071 3.6 50.2 1.0 PB A:ANP1462 4.0 67.0 1.0 O3A A:ANP1462 4.1 56.3 1.0 O A:GLY397 4.1 11.0 1.0 O A:HOH2128 4.2 40.6 1.0 OD1 A:ASP416 4.3 20.8 1.0 O2A A:ANP1462 4.4 47.0 1.0 O2B A:ANP1462 4.4 68.6 1.0 OG A:SER399 4.4 11.2 1.0 O3G A:ANP1462 4.5 75.4 1.0 O5' A:ANP1462 4.7 45.8 1.0 OD2 A:ASP262 4.9 27.8 1.0

Manganese binding site 2 out of 2 in the Human Inositol (1,4,5) Trisphosphate 3-Kinase Complexed with MN2+/Amppnp/Ins(1,4,5)P3


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+/Amppnp/Ins(1,4,5)P3 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn1464 b:57.4 occ:0.50 O1A B:ANP1462 2.2 53.8 1.0 OD2 B:ASP416 2.2 20.7 1.0 O B:HOH2156 2.4 35.7 1.0 N3B B:ANP1462 2.8 72.3 1.0 O2G B:ANP1462 3.3 77.0 1.0 CG B:ASP416 3.3 18.6 1.0 PG B:ANP1462 3.4 78.0 1.0 PA B:ANP1462 3.4 52.5 1.0 O1G B:ANP1462 3.5 78.3 1.0 PB B:ANP1462 3.6 68.5 1.0 O B:HOH2032 3.6 52.7 1.0 O3A B:ANP1462 3.8 61.7 1.0 CB B:ASP416 3.8 14.3 1.0 O1B B:ANP1462 4.1 70.0 1.0 OD1 B:ASP416 4.4 21.1 1.0 O B:GLY397 4.4 11.2 1.0 O2A B:ANP1462 4.4 54.1 1.0 OG B:SER399 4.6 12.1 1.0 O5' B:ANP1462 4.6 49.8 1.0 O3G B:ANP1462 4.9 78.4 1.0 O2B B:ANP1462 4.9 70.2 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