Calcium in PDB 6f7l: Crystal Structure of Lkce R326Q Mutant in Complex with Its Substrate

The structure of Crystal Structure of Lkce R326Q Mutant in Complex with Its Substrate, PDB code: 6f7l was solved by J.Dorival, F.Risser, C.Jacob, S.Collin, G.Drager, A.Kirschning, C.Paris, B.Chagot, A.Gruez, K.J.Weissman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.99 / 2.50
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	125.554, 125.554, 156.655, 90.00, 90.00, 90.00
R / Rfree (%)	20.6 / 24.4

The binding sites of Calcium atom in the Crystal Structure of Lkce R326Q Mutant in Complex with Its Substrate (pdb code 6f7l). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Crystal Structure of Lkce R326Q Mutant in Complex with Its Substrate, PDB code: 6f7l:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Crystal Structure of Lkce R326Q Mutant in Complex with Its Substrate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Lkce R326Q Mutant in Complex with Its Substrate within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca502 b:0.3 occ:0.50 OE2 A:GLU111 3.6 59.3 1.0 OE1 A:GLU111 4.0 90.4 1.0 CD A:GLU111 4.2 67.5 1.0

Calcium binding site 2 out of 3 in the Crystal Structure of Lkce R326Q Mutant in Complex with Its Substrate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Lkce R326Q Mutant in Complex with Its Substrate within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca503 b:97.3 occ:1.00 O A:GLN320 3.5 56.6 1.0 ND2 A:ASN162 3.9 54.6 1.0 O A:GLU318 3.9 57.3 1.0 C1 A:GOL505 3.9 58.4 1.0 O A:ALA173 4.1 58.1 1.0 O A:ALA317 4.4 54.2 1.0 O A:CYS171 4.4 58.1 1.0 C3 A:GOL505 4.4 72.6 1.0 C A:GLU318 4.5 53.8 1.0 C A:GLN320 4.6 53.2 1.0 CB A:MET321 4.6 59.6 1.0 O A:HOH664 4.6 44.0 1.0 CE A:MET321 4.6 84.2 1.0 OD1 A:ASN162 4.7 48.9 1.0 CG A:ASN162 4.7 52.1 1.0 C2 A:GOL505 4.8 62.7 1.0 C A:ALA173 4.9 51.9 1.0 O1 A:GOL505 5.0 46.2 1.0

Calcium binding site 3 out of 3 in the Crystal Structure of Lkce R326Q Mutant in Complex with Its Substrate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of Lkce R326Q Mutant in Complex with Its Substrate within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca502 b:93.8 occ:1.00 O B:HOH602 3.4 54.0 1.0 O B:LYS336 3.8 49.6 1.0 O B:VAL337 3.9 47.1 1.0 C B:LYS336 4.1 48.9 1.0 C B:VAL337 4.1 48.7 1.0 CA B:SER338 4.2 56.9 1.0 O B:ARG335 4.2 41.7 1.0 N B:SER338 4.3 49.3 1.0 CB B:SER338 4.3 58.5 1.0 CA B:LYS336 4.5 45.3 1.0 N B:VAL337 4.7 46.5 1.0

J.Dorival, F.Risser, C.Jacob, S.Collin, G.Drager, C.Paris, B.Chagot, A.Kirschning, A.Gruez, K.J.Weissman. Insights Into A Dual Function Amide Oxidase/Macrocyclase From Lankacidin Biosynthesis. Nat Commun V. 9 3998 2018.
ISSN: ESSN 2041-1723
PubMed: 30266997
DOI: 10.1038/S41467-018-06323-W