Manganese in PDB 1k4l: Crystal Structure of 3,4-Dihydroxy-2-Butanone 4-Phosphate Synthase in Complex with Two Manganese Ions

The structure of Crystal Structure of 3,4-Dihydroxy-2-Butanone 4-Phosphate Synthase in Complex with Two Manganese Ions, PDB code: 1k4l was solved by D.-I.Liao, Y.-J.Zheng, P.V.Viitanen, D.B.Jordan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 1.60
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	53.366, 88.346, 43.747, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Manganese atom in the Crystal Structure of 3,4-Dihydroxy-2-Butanone 4-Phosphate Synthase in Complex with Two Manganese Ions (pdb code 1k4l). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Crystal Structure of 3,4-Dihydroxy-2-Butanone 4-Phosphate Synthase in Complex with Two Manganese Ions, PDB code: 1k4l:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of 3,4-Dihydroxy-2-Butanone 4-Phosphate Synthase in Complex with Two Manganese Ions


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 3,4-Dihydroxy-2-Butanone 4-Phosphate Synthase in Complex with Two Manganese Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1003 b:17.5 occ:1.00 OE2 A:GLU37 1.9 16.7 1.0 O A:HOH1025 2.1 15.8 1.0 O A:HOH1040 2.2 19.0 1.0 O2 A:SO41001 2.2 16.8 1.0 O A:HOH1028 2.2 15.3 1.0 ND1 A:HIS153 2.3 17.9 1.0 CD A:GLU37 2.9 15.8 1.0 CE1 A:HIS153 3.1 19.0 1.0 OE1 A:GLU37 3.3 19.1 1.0 S A:SO41001 3.3 18.6 1.0 CG A:HIS153 3.4 17.2 1.0 O3 A:SO41001 3.5 16.1 1.0 MN A:MN1004 3.6 28.9 1.0 O A:HOH1095 3.8 32.9 1.0 CB A:HIS153 3.8 12.4 1.0 O4 A:SO41001 4.0 24.4 1.0 NH1 A:ARG36 4.0 20.7 1.0 OD2 A:ASP41 4.2 15.0 1.0 OD1 A:ASP41 4.2 18.1 1.0 CG A:GLU37 4.2 12.2 1.0 NE2 A:HIS153 4.3 19.4 1.0 N A:HIS153 4.3 12.7 1.0 OE1 A:GLU39 4.4 19.1 1.0 O A:HOH1035 4.5 17.6 1.0 O A:HOH1096 4.5 35.8 1.0 CD2 A:HIS153 4.5 19.6 1.0 CG A:ASP41 4.5 29.6 1.0 O1 A:SO41001 4.5 22.1 1.0 CA A:HIS153 4.7 11.8 1.0 CB A:GLU37 4.7 16.5 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of 3,4-Dihydroxy-2-Butanone 4-Phosphate Synthase in Complex with Two Manganese Ions


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 3,4-Dihydroxy-2-Butanone 4-Phosphate Synthase in Complex with Two Manganese Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1004 b:28.9 occ:1.00 OE1 A:GLU37 2.0 19.1 1.0 O A:HOH1025 2.2 15.8 1.0 O A:HOH1096 2.3 35.8 1.0 O A:HOH1035 2.4 17.6 1.0 O A:HOH1112 2.6 25.0 1.0 CD A:GLU37 3.1 15.8 1.0 OE2 A:GLU37 3.6 16.7 1.0 MN A:MN1003 3.6 17.5 1.0 O A:HOH1095 3.7 32.9 1.0 O A:HOH1120 4.0 28.8 1.0 OE2 A:GLU174 4.0 19.5 1.0 O A:HOH1028 4.2 15.3 1.0 OE1 A:GLU39 4.2 19.1 1.0 O3 A:SO41001 4.2 16.1 1.0 O A:HOH1040 4.4 19.0 1.0 O4 A:SO41001 4.4 24.4 1.0 CG A:GLU37 4.4 12.2 1.0 S A:SO41001 4.5 18.6 1.0 O2 A:SO41001 4.6 16.8 1.0 OG1 A:THR92 4.7 28.4 1.0

D.I.Liao, Y.J.Zheng, P.V.Viitanen, D.B.Jordan. Structural Definition of the Active Site and Catalytic Mechanism of 3,4-Dihydroxy-2-Butanone-4-Phosphate Synthase. Biochemistry V. 41 1795 2002.
ISSN: ISSN 0006-2960
PubMed: 11827524
DOI: 10.1021/BI015652U