Calcium in PDB 6f32: Crystal Structure of A Dual Function Amine Oxidase/Cyclase in Complex with Substrate Analogues

The structure of Crystal Structure of A Dual Function Amine Oxidase/Cyclase in Complex with Substrate Analogues, PDB code: 6f32 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)	48.98 / 2.80
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	125.504, 125.504, 156.686, 90.00, 90.00, 90.00
R / Rfree (%)	23.7 / 25.6

The binding sites of Calcium atom in the Crystal Structure of A Dual Function Amine Oxidase/Cyclase in Complex with Substrate Analogues (pdb code 6f32). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 5 binding sites of Calcium where determined in the Crystal Structure of A Dual Function Amine Oxidase/Cyclase in Complex with Substrate Analogues, PDB code: 6f32:
Jump to Calcium binding site number: 1; 2; 3; 4; 5;

Calcium binding site 1 out of 5 in the Crystal Structure of A Dual Function Amine Oxidase/Cyclase in Complex with Substrate Analogues


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 A Dual Function Amine Oxidase/Cyclase in Complex with Substrate Analogues within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca604 b:0.9 occ:0.50 OE1 A:GLU114 3.1 0.2 1.0 OE1 A:GLU111 3.5 99.4 1.0 OE2 A:GLU111 3.7 91.1 1.0 CD A:GLU114 3.9 0.8 1.0 OE2 A:GLU114 3.9 0.0 1.0 CD A:GLU111 4.1 0.6 1.0

Calcium binding site 2 out of 5 in the Crystal Structure of A Dual Function Amine Oxidase/Cyclase in Complex with Substrate Analogues


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 A Dual Function Amine Oxidase/Cyclase in Complex with Substrate Analogues within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca605 b:0.1 occ:1.00 CB B:TYR199 3.9 56.3 1.0 O A:SER188 4.0 73.0 1.0 CG B:TYR199 4.1 56.0 1.0 CD2 B:TYR199 4.1 55.6 1.0 ND2 B:ASN190 4.2 83.7 1.0 CB A:ASN190 4.2 71.9 1.0 O A:PHE187 4.2 67.6 1.0 N A:ASN190 4.4 70.1 1.0 O B:HOH702 4.5 93.8 1.0 OD1 A:ASN128 4.5 70.0 1.0 C1 A:GOL606 4.5 0.6 1.0 CA A:ASN190 4.6 69.7 1.0 O1 A:GOL606 4.6 0.7 1.0 C A:SER188 4.7 73.1 1.0 ND2 A:ASN128 4.8 68.5 1.0 CD1 B:TYR199 4.9 57.4 1.0 CB B:ASN190 4.9 77.1 1.0 CE2 B:TYR199 4.9 56.3 1.0 CG A:ASN190 4.9 90.6 1.0

Calcium binding site 3 out of 5 in the Crystal Structure of A Dual Function Amine Oxidase/Cyclase in Complex with Substrate Analogues


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 A Dual Function Amine Oxidase/Cyclase in Complex with Substrate Analogues within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca605 b:0.3 occ:1.00 O B:GLY301 3.2 90.4 1.0 CG1 B:VAL330 3.6 72.3 1.0 OG B:SER91 4.2 79.9 1.0 O B:HOH764 4.3 96.4 1.0 C B:GLY301 4.4 91.4 1.0 O A:LEU106 4.6 73.4 1.0 CB B:SER91 4.8 72.2 1.0 CA A:ASP107 4.9 69.4 1.0 CD1 B:LEU106 4.9 85.9 1.0

Calcium binding site 4 out of 5 in the Crystal Structure of A Dual Function Amine Oxidase/Cyclase in Complex with Substrate Analogues


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of A Dual Function Amine Oxidase/Cyclase in Complex with Substrate Analogues within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca606 b:0.8 occ:1.00 O B:SER338 3.1 76.7 1.0 C B:SER338 3.9 76.1 1.0 OE2 B:GLU292 4.1 0.2 1.0 ND2 B:ASN329 4.2 67.4 1.0 N B:PRO340 4.2 71.4 1.0 CG B:ASN329 4.2 82.4 1.0 C B:SER339 4.2 74.6 1.0 O B:VAL337 4.3 73.4 1.0 OD1 B:ASN329 4.4 79.7 1.0 CA B:PRO340 4.4 70.8 1.0 O B:SER339 4.4 73.5 1.0 O B:HOH703 4.6 70.3 1.0 CD B:PRO340 4.6 72.8 1.0 N B:SER339 4.7 71.7 1.0 CA B:SER338 4.7 71.8 1.0 CA B:SER339 4.8 71.5 1.0 CB B:PRO340 4.9 72.6 1.0 CB B:ASN329 4.9 66.9 1.0

Calcium binding site 5 out of 5 in the Crystal Structure of A Dual Function Amine Oxidase/Cyclase in Complex with Substrate Analogues


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Crystal Structure of A Dual Function Amine Oxidase/Cyclase in Complex with Substrate Analogues within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca607 b:0.7 occ:1.00 O B:ILE167 2.6 0.3 1.0 C B:ILE167 3.4 0.7 1.0 O B:SER166 3.4 89.5 1.0 O B:TYR168 3.7 0.3 1.0 N B:GLY170 3.8 0.6 1.0 C B:TYR168 3.9 0.8 1.0 CA B:GLY170 3.9 0.7 1.0 N B:TYR168 4.1 0.1 1.0 CA B:TYR168 4.2 0.1 1.0 CA B:ILE167 4.2 90.6 1.0 CD1 B:PHE345 4.5 75.8 1.0 C B:SER166 4.5 89.8 1.0 CG B:PHE345 4.6 72.7 1.0 CE1 B:PHE345 4.6 76.9 1.0 N B:SER169 4.6 0.9 1.0 CD2 B:LEU324 4.7 78.2 1.0 C B:SER169 4.7 0.4 1.0 CD2 B:PHE345 4.7 74.9 1.0 CZ B:PHE345 4.7 75.5 1.0 C6 B:FAD601 4.8 82.7 1.0 C7M B:FAD601 4.8 79.8 1.0 CE2 B:PHE345 4.8 77.7 1.0 N B:ILE167 4.8 90.1 1.0 CD1 B:LEU364 5.0 81.6 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