Calcium in PDB 8dl1: BOGH13ASUS-E523Q From Bacteroides Ovatus Bound to Maltoheptaose

The structure of BOGH13ASUS-E523Q From Bacteroides Ovatus Bound to Maltoheptaose, PDB code: 8dl1 was solved by H.A.Brown, A.L.Deveaux, N.M.Koropatkin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.93 / 2.09
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	99.68, 128.64, 149.76, 90, 105.37, 90
R / Rfree (%)	17.7 / 22.3

The structure of BOGH13ASUS-E523Q From Bacteroides Ovatus Bound to Maltoheptaose also contains other interesting chemical elements:

Manganese	(Mn)	4 atoms
Chlorine	(Cl)	1 atom
Sodium	(Na)	1 atom

The binding sites of Calcium atom in the BOGH13ASUS-E523Q From Bacteroides Ovatus Bound to Maltoheptaose (pdb code 8dl1). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the BOGH13ASUS-E523Q From Bacteroides Ovatus Bound to Maltoheptaose, PDB code: 8dl1:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the BOGH13ASUS-E523Q From Bacteroides Ovatus Bound to Maltoheptaose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of BOGH13ASUS-E523Q From Bacteroides Ovatus Bound to Maltoheptaose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca2312 b:11.9 occ:1.00 O A:PHE357 2.3 10.1 1.0 OE1 A:GLU274 2.3 16.7 1.0 O A:HOH2574 2.4 12.8 1.0 O A:GLY359 2.4 12.6 1.0 OD2 A:ASP374 2.4 12.5 1.0 OE2 A:GLU356 2.5 18.6 1.0 OE1 A:GLU356 2.7 18.9 1.0 CD A:GLU356 2.9 17.3 1.0 CG A:ASP374 3.3 13.1 1.0 CD A:GLU274 3.5 17.1 1.0 C A:PHE357 3.5 10.6 1.0 C A:GLY359 3.5 12.4 1.0 OD1 A:ASP374 3.7 12.3 1.0 N A:GLY359 3.8 12.8 1.0 N A:PHE357 3.9 10.9 1.0 OE2 A:GLU274 4.1 18.7 1.0 CA A:GLY359 4.2 12.8 1.0 C A:ALA358 4.3 12.6 1.0 CG A:GLU356 4.3 16.2 1.0 CA A:PHE357 4.3 10.8 1.0 CD2 A:PHE357 4.3 9.9 1.0 N A:ALA358 4.5 10.7 1.0 O A:HOH2794 4.5 16.5 1.0 OH A:TYR289 4.6 17.6 1.0 N A:ASN360 4.6 12.3 1.0 CB A:ASP374 4.6 13.9 1.0 CE2 A:PHE357 4.6 9.9 1.0 CG A:GLU274 4.7 15.9 1.0 CA A:ALA358 4.7 11.2 1.0 C A:GLU356 4.7 12.3 1.0 O A:HOH2415 4.7 16.4 1.0 CB A:GLU274 4.7 14.7 1.0 O A:ALA358 4.8 14.1 1.0 CA A:GLU356 4.8 13.2 1.0 CA A:ASN360 4.8 12.8 1.0 CG A:PHE357 4.8 9.8 1.0 CG2 A:VAL277 4.9 16.3 1.0

Calcium binding site 2 out of 4 in the BOGH13ASUS-E523Q From Bacteroides Ovatus Bound to Maltoheptaose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of BOGH13ASUS-E523Q From Bacteroides Ovatus Bound to Maltoheptaose within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca3309 b:14.5 occ:1.00 O B:PHE357 2.2 12.2 1.0 O B:HOH3583 2.3 15.3 1.0 OD1 B:ASP374 2.4 15.0 1.0 O B:GLY359 2.4 16.2 1.0 OE1 B:GLU274 2.4 19.3 1.0 OE2 B:GLU356 2.6 21.0 1.0 OE1 B:GLU356 2.7 20.9 1.0 CD B:GLU356 3.0 18.3 1.0 CG B:ASP374 3.3 14.7 1.0 C B:PHE357 3.5 13.0 1.0 C B:GLY359 3.5 16.6 1.0 CD B:GLU274 3.6 19.2 1.0 OD2 B:ASP374 3.6 13.4 1.0 N B:PHE357 3.9 13.1 1.0 N B:GLY359 3.9 15.7 1.0 OE2 B:GLU274 4.2 18.6 1.0 C B:ALA358 4.2 14.8 1.0 CA B:GLY359 4.2 15.7 1.0 CD2 B:PHE357 4.2 12.2 1.0 CA B:PHE357 4.3 13.2 1.0 CG B:GLU356 4.4 17.3 1.0 N B:ALA358 4.4 13.1 1.0 O B:HOH3625 4.5 31.6 1.0 OH B:TYR289 4.5 20.1 1.0 N B:ASN360 4.6 16.4 1.0 CE2 B:PHE357 4.6 12.2 1.0 CA B:ALA358 4.6 14.0 1.0 CB B:ASP374 4.6 14.9 1.0 C B:GLU356 4.7 14.4 1.0 CG B:GLU274 4.7 18.8 1.0 CB B:GLU274 4.7 18.9 1.0 O B:HOH3450 4.8 20.8 1.0 O B:ALA358 4.8 14.3 1.0 CA B:ASN360 4.8 17.2 1.0 CG B:PHE357 4.8 12.0 1.0 CG2 B:VAL277 4.9 21.4 1.0 CA B:GLU356 4.9 15.1 1.0

Calcium binding site 3 out of 4 in the BOGH13ASUS-E523Q From Bacteroides Ovatus Bound to Maltoheptaose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of BOGH13ASUS-E523Q From Bacteroides Ovatus Bound to Maltoheptaose within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca2308 b:15.7 occ:1.00 O C:PHE357 2.2 13.8 1.0 OE1 C:GLU274 2.3 15.9 1.0 OD2 C:ASP374 2.3 15.7 1.0 O C:HOH2619 2.3 12.9 1.0 O C:GLY359 2.4 14.2 1.0 OE1 C:GLU356 2.6 19.9 1.0 OE2 C:GLU356 2.7 20.3 1.0 CD C:GLU356 3.0 18.7 1.0 CG C:ASP374 3.3 15.6 1.0 CD C:GLU274 3.4 17.0 1.0 C C:PHE357 3.4 13.5 1.0 C C:GLY359 3.5 14.8 1.0 OD1 C:ASP374 3.6 15.1 1.0 N C:PHE357 3.8 12.8 1.0 N C:GLY359 3.8 13.2 1.0 OE2 C:GLU274 4.0 18.1 1.0 CA C:GLY359 4.2 13.6 1.0 C C:ALA358 4.2 14.1 1.0 CA C:PHE357 4.2 13.4 1.0 CD2 C:PHE357 4.3 13.1 1.0 O C:HOH2760 4.4 26.0 1.0 CG C:GLU356 4.4 17.4 1.0 N C:ALA358 4.4 14.3 1.0 CE2 C:PHE357 4.6 12.7 1.0 CG C:GLU274 4.6 17.1 1.0 CB C:ASP374 4.6 16.8 1.0 N C:ASN360 4.6 15.8 1.0 C C:GLU356 4.6 13.9 1.0 OH C:TYR289 4.7 17.6 1.0 CA C:ALA358 4.7 14.0 1.0 CB C:GLU274 4.7 16.7 1.0 O C:ALA358 4.8 14.4 1.0 CG2 C:VAL277 4.8 21.5 1.0 CG C:PHE357 4.8 12.8 1.0 CA C:GLU356 4.9 14.9 1.0 CA C:ASN360 4.9 17.5 1.0 O C:HOH2516 4.9 19.1 1.0

Calcium binding site 4 out of 4 in the BOGH13ASUS-E523Q From Bacteroides Ovatus Bound to Maltoheptaose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of BOGH13ASUS-E523Q From Bacteroides Ovatus Bound to Maltoheptaose within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca801 b:23.2 occ:1.00 O D:PHE357 2.3 25.0 1.0 OE1 D:GLU274 2.3 32.5 1.0 OD2 D:ASP374 2.3 25.6 1.0 OE1 D:GLU356 2.4 34.8 1.0 O D:GLY359 2.4 21.4 1.0 O D:HOH987 2.4 25.0 1.0 OE2 D:GLU356 2.5 30.5 1.0 CD D:GLU356 2.8 31.4 1.0 CG D:ASP374 3.4 24.9 1.0 C D:PHE357 3.5 26.1 1.0 CD D:GLU274 3.5 34.2 1.0 C D:GLY359 3.6 22.2 1.0 OD1 D:ASP374 3.7 25.0 1.0 N D:PHE357 3.9 25.0 1.0 N D:GLY359 3.9 22.5 1.0 OE2 D:GLU274 4.2 35.2 1.0 CA D:GLY359 4.2 21.2 1.0 CG D:GLU356 4.3 28.8 1.0 C D:ALA358 4.3 24.4 1.0 CA D:PHE357 4.3 24.1 1.0 CD1 D:PHE357 4.4 23.6 1.0 N D:ALA358 4.5 24.8 1.0 OH D:TYR289 4.5 36.8 1.0 O D:HOH1154 4.5 31.9 1.0 CG D:GLU274 4.6 31.8 1.0 N D:ASN360 4.6 23.2 1.0 CB D:ASP374 4.7 23.8 1.0 CA D:ALA358 4.7 25.2 1.0 O D:HOH925 4.7 24.5 1.0 CB D:GLU274 4.7 30.6 1.0 C D:GLU356 4.7 26.7 1.0 CE1 D:PHE357 4.8 24.3 1.0 CG D:PHE357 4.8 23.2 1.0 O D:ALA358 4.8 22.3 1.0 CA D:GLU356 4.9 26.6 1.0 CG2 D:VAL277 4.9 36.3 1.0 CA D:ASN360 4.9 28.1 1.0

H.A.Brown, A.L.Deveaux, N.M.Koropatkin. BOGH13ASUS-E523Q From Bacteroides Ovatus To Be Published.