Calcium in PDB 6qcl: Citryl-Coa Lyase Core Module of Chlorobium Limicola Atp Citrate Lyase in Complex with Acetyl-Coa and L-Malate

The structure of Citryl-Coa Lyase Core Module of Chlorobium Limicola Atp Citrate Lyase in Complex with Acetyl-Coa and L-Malate, PDB code: 6qcl was solved by K.Verstraete, K.Verschueren, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.62 / 1.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	102.730, 100.817, 105.012, 90.00, 102.99, 90.00
R / Rfree (%)	15.7 / 17.7

The binding sites of Calcium atom in the Citryl-Coa Lyase Core Module of Chlorobium Limicola Atp Citrate Lyase in Complex with Acetyl-Coa and L-Malate (pdb code 6qcl). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Citryl-Coa Lyase Core Module of Chlorobium Limicola Atp Citrate Lyase in Complex with Acetyl-Coa and L-Malate, PDB code: 6qcl:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Citryl-Coa Lyase Core Module of Chlorobium Limicola Atp Citrate Lyase in Complex with Acetyl-Coa and L-Malate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Citryl-Coa Lyase Core Module of Chlorobium Limicola Atp Citrate Lyase in Complex with Acetyl-Coa and L-Malate within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca701 b:14.4 occ:1.00 OE1 A:GLN602 2.3 20.4 1.0 OE2 A:GLU603 2.3 19.2 1.0 O A:HOH877 2.4 19.6 1.0 CD A:GLN602 3.4 35.7 1.0 H A:GLU603 3.4 14.5 1.0 CD A:GLU603 3.5 35.6 1.0 HE22 A:GLN602 3.5 27.2 1.0 NE2 A:GLN602 3.9 28.6 1.0 HB2 A:GLU603 3.9 15.2 1.0 OE1 A:GLU603 4.0 30.0 1.0 O A:HOH890 4.1 28.3 1.0 O A:HOH807 4.2 24.6 1.0 HA A:GLN602 4.2 15.4 1.0 N A:GLU603 4.4 14.1 1.0 HG3 A:GLN602 4.6 24.6 1.0 CG A:GLN602 4.6 25.5 1.0 CG A:GLU603 4.6 17.5 1.0 O A:HOH851 4.7 29.1 1.0 CB A:GLU603 4.7 14.9 1.0 HE21 A:GLN602 4.9 29.5 1.0

Calcium binding site 2 out of 2 in the Citryl-Coa Lyase Core Module of Chlorobium Limicola Atp Citrate Lyase in Complex with Acetyl-Coa and L-Malate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Citryl-Coa Lyase Core Module of Chlorobium Limicola Atp Citrate Lyase in Complex with Acetyl-Coa and L-Malate within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca701 b:15.0 occ:1.00 OE1 B:GLN602 2.2 23.9 1.0 O B:HOH859 2.3 21.7 1.0 OE2 B:GLU603 2.4 19.1 1.0 CD B:GLN602 3.2 40.4 1.0 HE22 B:GLN602 3.3 28.9 1.0 H B:GLU603 3.4 11.3 1.0 CD B:GLU603 3.5 28.2 1.0 NE2 B:GLN602 3.7 31.8 1.0 OE1 B:GLU603 4.0 32.6 1.0 HB2 B:GLU603 4.1 15.1 1.0 HA B:GLN602 4.1 11.5 1.0 O B:HOH898 4.1 25.6 1.0 O B:HOH813 4.2 22.7 1.0 O B:HOH856 4.4 35.7 1.0 N B:GLU603 4.5 13.4 1.0 HG3 B:GLN602 4.5 33.1 1.0 CG B:GLN602 4.5 33.0 1.0 O B:HOH803 4.6 32.9 1.0 HE21 B:GLN602 4.7 33.0 1.0 CG B:GLU603 4.7 15.3 1.0 CB B:GLU603 4.8 14.1 1.0

K.H.G.Verschueren, C.Blanchet, J.Felix, A.Dansercoer, D.De Vos, Y.Bloch, J.Van Beeumen, D.Svergun, I.Gutsche, S.N.Savvides, K.Verstraete. Structure of Atp Citrate Lyase and the Origin of Citrate Synthase in the Krebs Cycle. Nature V. 568 571 2019.
ISSN: ESSN 1476-4687
PubMed: 30944476
DOI: 10.1038/S41586-019-1095-5