Magnesium in PDB 7nii: Wzc-K540M Mgadp C1

The binding sites of Magnesium atom in the Wzc-K540M Mgadp C1 (pdb code 7nii). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 8 binding sites of Magnesium where determined in the Wzc-K540M Mgadp C1, PDB code: 7nii:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Magnesium binding site 1 out of 8 in the Wzc-K540M Mgadp C1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Wzc-K540M Mgadp C1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1001 b:11.2 occ:1.00 OG1 A:THR541 1.9 6.9 1.0 O1B A:ADP1000 2.3 6.8 1.0 CB A:THR541 3.2 6.9 1.0 OD2 A:ASP642 3.4 7.8 1.0 OD2 A:ASP564 3.7 13.6 1.0 PB A:ADP1000 3.7 6.8 1.0 OD1 A:ASP642 4.0 7.8 1.0 N A:THR541 4.0 6.9 1.0 O3B A:ADP1000 4.0 6.8 1.0 CG A:ASP642 4.0 7.8 1.0 CA A:THR541 4.1 6.9 1.0 OH H:TYR717 4.2 17.3 1.0 CG2 A:THR541 4.2 6.9 1.0 O1A A:ADP1000 4.4 6.8 1.0 CE A:MET540 4.5 9.3 1.0 O A:THR643 4.5 10.7 1.0 O2B A:ADP1000 4.6 6.8 1.0 CG A:ASP564 4.7 13.6 1.0 O2A A:ADP1000 4.7 6.8 1.0 O3A A:ADP1000 4.7 6.8 1.0 CB A:ASP564 4.8 13.6 1.0 PA A:ADP1000 4.8 6.8 1.0 C A:MET540 4.9 9.3 1.0 CB A:MET540 4.9 9.3 1.0 CE2 A:TYR569 5.0 24.0 1.0

Magnesium binding site 2 out of 8 in the Wzc-K540M Mgadp C1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Wzc-K540M Mgadp C1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1001 b:20.4 occ:1.00 OG1 B:THR541 2.0 9.9 1.0 O1B B:ADP1000 2.3 29.6 1.0 CB B:THR541 3.3 9.9 1.0 OD2 B:ASP642 3.5 6.1 1.0 OD2 B:ASP564 3.6 10.7 1.0 PB B:ADP1000 3.7 29.6 1.0 O3B B:ADP1000 4.0 29.6 1.0 OH A:TYR717 4.0 18.3 1.0 N B:THR541 4.1 9.9 1.0 OD1 B:ASP642 4.1 6.1 1.0 CG B:ASP642 4.2 6.1 1.0 CA B:THR541 4.2 9.9 1.0 CG2 B:THR541 4.3 9.9 1.0 O1A B:ADP1000 4.4 29.6 1.0 CE B:MET540 4.5 9.2 1.0 O B:THR643 4.6 5.9 1.0 CG B:ASP564 4.6 10.7 1.0 O2B B:ADP1000 4.6 29.6 1.0 O2A B:ADP1000 4.7 29.6 1.0 O3A B:ADP1000 4.7 29.6 1.0 CB B:ASP564 4.8 10.7 1.0 PA B:ADP1000 4.8 29.6 1.0 CE2 B:TYR569 4.9 26.4 1.0

Magnesium binding site 3 out of 8 in the Wzc-K540M Mgadp C1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Wzc-K540M Mgadp C1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg1001 b:14.4 occ:1.00 OG1 C:THR541 2.2 12.4 1.0 O1B C:ADP1000 2.3 29.6 1.0 CB C:THR541 3.5 12.4 1.0 OD2 C:ASP564 3.5 13.8 1.0 OD2 C:ASP642 3.6 6.7 1.0 PB C:ADP1000 3.7 29.6 1.0 OH B:TYR717 3.9 18.7 1.0 O3B C:ADP1000 4.0 29.6 1.0 OD1 C:ASP642 4.1 6.7 1.0 N C:THR541 4.2 12.4 1.0 CG C:ASP642 4.2 6.7 1.0 CA C:THR541 4.3 12.4 1.0 CE C:MET540 4.4 11.1 1.0 CG2 C:THR541 4.4 12.4 1.0 O1A C:ADP1000 4.4 29.6 1.0 O C:THR643 4.5 7.5 1.0 CG C:ASP564 4.5 13.8 1.0 O2B C:ADP1000 4.6 29.6 1.0 O2A C:ADP1000 4.7 29.6 1.0 O3A C:ADP1000 4.7 29.6 1.0 CB C:ASP564 4.7 13.8 1.0 PA C:ADP1000 4.8 29.6 1.0 CB C:MET540 5.0 11.1 1.0

Magnesium binding site 4 out of 8 in the Wzc-K540M Mgadp C1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Wzc-K540M Mgadp C1 within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg1001 b:14.6 occ:1.00 OG1 D:THR541 2.1 10.7 1.0 O1B D:ADP1000 2.3 29.6 1.0 CB D:THR541 3.4 10.7 1.0 OD2 D:ASP642 3.4 7.9 1.0 OD2 D:ASP564 3.6 12.6 1.0 PB D:ADP1000 3.7 29.6 1.0 OD1 D:ASP642 3.9 7.9 1.0 OH C:TYR717 4.0 19.4 1.0 O3B D:ADP1000 4.0 29.6 1.0 CG D:ASP642 4.0 7.9 1.0 N D:THR541 4.0 10.7 1.0 CA D:THR541 4.2 10.7 1.0 CE D:MET540 4.3 9.9 1.0 O D:THR643 4.3 8.1 1.0 CG2 D:THR541 4.4 10.7 1.0 O1A D:ADP1000 4.4 29.6 1.0 CG D:ASP564 4.6 12.6 1.0 O2B D:ADP1000 4.6 29.6 1.0 O2A D:ADP1000 4.7 29.6 1.0 O3A D:ADP1000 4.7 29.6 1.0 CB D:ASP564 4.7 12.6 1.0 CB D:MET540 4.8 9.9 1.0 PA D:ADP1000 4.8 29.6 1.0 C D:MET540 4.9 9.9 1.0

Magnesium binding site 5 out of 8 in the Wzc-K540M Mgadp C1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Wzc-K540M Mgadp C1 within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg1001 b:10.8 occ:1.00 OG1 E:THR541 2.2 7.5 1.0 O1B E:ADP1000 2.3 8.7 1.0 OD2 E:ASP564 3.4 12.0 1.0 CB E:THR541 3.5 7.5 1.0 OD2 E:ASP642 3.5 7.5 1.0 PB E:ADP1000 3.7 8.7 1.0 OH D:TYR717 3.9 19.5 1.0 O3B E:ADP1000 4.0 8.7 1.0 OD1 E:ASP642 4.2 7.5 1.0 CG E:ASP642 4.2 7.5 1.0 N E:THR541 4.3 7.5 1.0 CA E:THR541 4.4 7.5 1.0 CG2 E:THR541 4.4 7.5 1.0 O1A E:ADP1000 4.4 8.7 1.0 CG E:ASP564 4.4 12.0 1.0 CE E:MET540 4.5 8.2 1.0 O E:THR643 4.5 9.1 1.0 O2B E:ADP1000 4.6 8.7 1.0 CB E:ASP564 4.7 12.0 1.0 O2A E:ADP1000 4.7 8.7 1.0 O3A E:ADP1000 4.7 8.7 1.0 PA E:ADP1000 4.8 8.7 1.0 CE2 E:TYR569 5.0 22.2 1.0

Magnesium binding site 6 out of 8 in the Wzc-K540M Mgadp C1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Wzc-K540M Mgadp C1 within 5.0Å range: probe atom residue distance (Å) B Occ F:Mg1001 b:16.1 occ:1.00 OG1 F:THR541 2.1 8.0 1.0 O1B F:ADP1000 2.3 29.6 1.0 CB F:THR541 3.4 8.0 1.0 OD2 F:ASP564 3.5 10.3 1.0 OD2 F:ASP642 3.5 5.8 1.0 PB F:ADP1000 3.7 29.6 1.0 OH E:TYR717 3.9 19.2 1.0 O3B F:ADP1000 4.0 29.6 1.0 OD1 F:ASP642 4.1 5.8 1.0 CG F:ASP642 4.2 5.8 1.0 N F:THR541 4.2 8.0 1.0 CA F:THR541 4.3 8.0 1.0 CG2 F:THR541 4.4 8.0 1.0 O1A F:ADP1000 4.4 29.6 1.0 CE F:MET540 4.5 9.0 1.0 CG F:ASP564 4.5 10.3 1.0 O F:THR643 4.5 5.7 1.0 O2B F:ADP1000 4.6 29.6 1.0 O2A F:ADP1000 4.7 29.6 1.0 CB F:ASP564 4.7 10.3 1.0 O3A F:ADP1000 4.7 29.6 1.0 PA F:ADP1000 4.8 29.6 1.0 CE2 F:TYR569 5.0 26.1 1.0

Magnesium binding site 7 out of 8 in the Wzc-K540M Mgadp C1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Wzc-K540M Mgadp C1 within 5.0Å range: probe atom residue distance (Å) B Occ G:Mg1001 b:10.1 occ:1.00 OG1 G:THR541 2.2 7.3 1.0 O1B G:ADP1000 2.3 7.2 1.0 CB G:THR541 3.4 7.3 1.0 OD2 G:ASP564 3.6 13.3 1.0 OD2 G:ASP642 3.6 7.7 1.0 PB G:ADP1000 3.7 7.2 1.0 OH F:TYR717 3.9 19.6 1.0 O3B G:ADP1000 4.0 7.2 1.0 N G:THR541 4.1 7.3 1.0 OD1 G:ASP642 4.2 7.7 1.0 CG G:ASP642 4.3 7.7 1.0 CA G:THR541 4.3 7.3 1.0 CG2 G:THR541 4.4 7.3 1.0 CE G:MET540 4.4 6.7 1.0 O1A G:ADP1000 4.4 7.2 1.0 O G:THR643 4.6 8.7 1.0 CG G:ASP564 4.6 13.3 1.0 O2B G:ADP1000 4.6 7.2 1.0 O2A G:ADP1000 4.7 7.2 1.0 O3A G:ADP1000 4.7 7.2 1.0 PA G:ADP1000 4.8 7.2 1.0 CB G:ASP564 4.8 13.3 1.0 CE2 G:TYR569 4.9 25.1 1.0 CB G:MET540 5.0 6.7 1.0

Magnesium binding site 8 out of 8 in the Wzc-K540M Mgadp C1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of Wzc-K540M Mgadp C1 within 5.0Å range: probe atom residue distance (Å) B Occ H:Mg1001 b:14.0 occ:1.00 OG1 H:THR541 2.0 5.5 1.0 O1B H:ADP1000 2.3 7.6 1.0 CB H:THR541 3.3 5.5 1.0 OD2 H:ASP642 3.5 6.8 1.0 OD2 H:ASP564 3.6 11.3 1.0 PB H:ADP1000 3.7 7.6 1.0 O3B H:ADP1000 4.0 7.6 1.0 N H:THR541 4.0 5.5 1.0 OD1 H:ASP642 4.1 6.8 1.0 OH G:TYR717 4.1 19.7 1.0 CG H:ASP642 4.1 6.8 1.0 CA H:THR541 4.2 5.5 1.0 CG2 H:THR541 4.3 5.5 1.0 CE H:MET540 4.4 6.7 1.0 O1A H:ADP1000 4.4 7.6 1.0 O H:THR643 4.5 6.4 1.0 O2B H:ADP1000 4.6 7.6 1.0 CG H:ASP564 4.6 11.3 1.0 O2A H:ADP1000 4.7 7.6 1.0 O3A H:ADP1000 4.7 7.6 1.0 CB H:ASP564 4.8 11.3 1.0 PA H:ADP1000 4.8 7.6 1.0 CB H:MET540 4.9 6.7 1.0 C H:MET540 5.0 6.7 1.0 CE2 H:TYR569 5.0 23.6 1.0

Y.Yang, J.Liu, B.R.Clarke, L.Seidel, J.R.Bolla, P.N.Ward, P.Zhang, C.V.Robinson, C.Whitfield, J.H.Naismith. The Molecular Basis of Regulation of Bacterial Capsule Assembly By Wzc. Nat Commun V. 12 4349 2021.
ISSN: ESSN 2041-1723
PubMed: 34272394
DOI: 10.1038/S41467-021-24652-1