Calcium in PDB 2q1c: 2-Keto-3-Deoxy-D-Arabinonate Dehydratase Complexed with Calcium and 2- Oxobutyrate

The structure of 2-Keto-3-Deoxy-D-Arabinonate Dehydratase Complexed with Calcium and 2- Oxobutyrate, PDB code: 2q1c was solved by T.Barends, S.Brouns, P.Worm, J.Akerboom, A.Turnbull, L.Salmon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.48 / 2.80
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	129.290, 129.290, 223.090, 90.00, 90.00, 90.00
R / Rfree (%)	24 / 26.6

The binding sites of Calcium atom in the 2-Keto-3-Deoxy-D-Arabinonate Dehydratase Complexed with Calcium and 2- Oxobutyrate (pdb code 2q1c). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the 2-Keto-3-Deoxy-D-Arabinonate Dehydratase Complexed with Calcium and 2- Oxobutyrate, PDB code: 2q1c:

Calcium binding site 1 out of 1 in the 2-Keto-3-Deoxy-D-Arabinonate Dehydratase Complexed with Calcium and 2- Oxobutyrate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of 2-Keto-3-Deoxy-D-Arabinonate Dehydratase Complexed with Calcium and 2- Oxobutyrate within 5.0Å range: probe atom residue distance (Å) B Occ X:Ca294 b:37.3 occ:1.00 OE2 X:GLU143 2.3 36.4 1.0 OD2 X:ASP164 2.3 32.2 1.0 OE1 X:GLU145 2.4 34.4 1.0 O3 X:2KT295 2.4 40.6 1.0 O X:HOH325 2.5 35.4 1.0 O2 X:2KT295 2.6 40.4 1.0 C2 X:2KT295 3.2 40.5 1.0 NZ X:LYS182 3.4 34.7 1.0 C1 X:2KT295 3.4 40.5 1.0 CD X:GLU145 3.4 34.7 1.0 CG X:ASP164 3.4 32.4 1.0 CD X:GLU143 3.5 36.2 1.0 OE2 X:GLU145 3.8 34.8 1.0 CB X:ASP164 3.8 32.4 1.0 CB X:GLU143 4.2 36.0 1.0 CZ X:PHE116 4.3 35.3 1.0 OE1 X:GLU143 4.3 36.6 1.0 C3 X:2KT295 4.4 40.4 1.0 CG X:GLU143 4.4 36.1 1.0 OD1 X:ASP164 4.5 32.4 1.0 CA X:GLY255 4.5 36.8 1.0 O1 X:2KT295 4.6 40.7 1.0 N X:THR256 4.6 37.5 1.0 CG X:GLU145 4.7 34.5 1.0 CE X:LYS182 4.7 34.3 1.0 CG2 X:THR256 4.7 37.8 1.0 CE2 X:PHE116 4.7 35.1 1.0 C4 X:2KT295 4.8 40.0 1.0 O X:SER79 4.9 47.1 1.0 OG X:SER166 5.0 34.3 1.0 C X:GLY255 5.0 37.1 1.0 CB X:THR256 5.0 38.0 1.0

S.J.Brouns, T.R.Barends, P.Worm, J.Akerboom, A.P.Turnbull, L.Salmon, J.Van Der Oost. Structural Insight Into Substrate Binding and Catalysis of A Novel 2-Keto-3-Deoxy-D-Arabinonate Dehydratase Illustrates Common Mechanistic Features of the Fah Superfamily. J.Mol.Biol. V. 379 357 2008.
ISSN: ISSN 0022-2836
PubMed: 18448118
DOI: 10.1016/J.JMB.2008.03.064