Magnesium in PDB 7nih: Wzc-K540M Mgadp C8

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Wzc-K540M Mgadp C8 (pdb code 7nih). 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 C8, PDB code: 7nih:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Magnesium binding site 1 out of 8 in 7nih

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Magnesium binding site 1 out of 8 in the Wzc-K540M Mgadp C8


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 C8 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1001

b:20.1
occ:1.00
O2B A:ADP1000 2.0 4.8 1.0
OG1 A:THR541 2.1 4.4 1.0
PB A:ADP1000 3.2 4.8 1.0
O1B A:ADP1000 3.4 4.8 1.0
CB A:THR541 3.4 4.4 1.0
OD2 A:ASP564 3.9 5.4 1.0
OD2 A:ASP642 3.9 4.8 1.0
OH H:TYR717 3.9 10.9 1.0
N A:THR541 4.0 4.4 1.0
O3B A:ADP1000 4.3 4.8 1.0
O3A A:ADP1000 4.3 4.8 1.0
CA A:THR541 4.3 4.4 1.0
CG2 A:THR541 4.3 4.4 1.0
OD1 A:ASP642 4.5 4.8 1.0
O1A A:ADP1000 4.5 4.8 1.0
CG A:ASP642 4.6 4.8 1.0
CE A:MET540 4.7 6.0 1.0
O A:THR643 4.7 4.2 1.0
PA A:ADP1000 4.8 4.8 1.0
CG A:ASP564 4.9 5.4 1.0
CB A:MET540 4.9 6.0 1.0
O2A A:ADP1000 5.0 4.8 1.0
C A:MET540 5.0 6.0 1.0

Magnesium binding site 2 out of 8 in 7nih

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Magnesium binding site 2 out of 8 in the Wzc-K540M Mgadp C8


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 C8 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg1001

b:6.5
occ:1.00
O2B B:ADP1000 2.0 6.8 1.0
OG1 B:THR541 2.1 4.3 1.0
PB B:ADP1000 3.2 6.8 1.0
O1B B:ADP1000 3.4 6.8 1.0
CB B:THR541 3.4 4.3 1.0
OD2 B:ASP564 3.9 5.8 1.0
OH A:TYR717 3.9 9.8 1.0
OD2 B:ASP642 3.9 5.0 1.0
N B:THR541 4.0 4.3 1.0
O3B B:ADP1000 4.3 6.8 1.0
O3A B:ADP1000 4.3 6.8 1.0
CA B:THR541 4.3 4.3 1.0
CG2 B:THR541 4.3 4.3 1.0
OD1 B:ASP642 4.5 5.0 1.0
O1A B:ADP1000 4.5 6.8 1.0
CG B:ASP642 4.6 5.0 1.0
CE B:MET540 4.7 5.1 1.0
O B:THR643 4.7 4.6 1.0
PA B:ADP1000 4.8 6.8 1.0
CG B:ASP564 4.9 5.8 1.0
CB B:MET540 4.9 5.1 1.0
O2A B:ADP1000 5.0 6.8 1.0
C B:MET540 5.0 5.1 1.0

Magnesium binding site 3 out of 8 in 7nih

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Magnesium binding site 3 out of 8 in the Wzc-K540M Mgadp C8


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 C8 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg1001

b:9.0
occ:1.00
O2B C:ADP1000 2.0 20.1 1.0
OG1 C:THR541 2.1 6.4 1.0
PB C:ADP1000 3.2 20.1 1.0
O1B C:ADP1000 3.4 20.1 1.0
CB C:THR541 3.4 6.4 1.0
OH B:TYR717 3.8 10.6 1.0
OD2 C:ASP564 3.9 5.7 1.0
OD2 C:ASP642 3.9 4.7 1.0
N C:THR541 4.0 6.4 1.0
O3B C:ADP1000 4.3 20.1 1.0
O3A C:ADP1000 4.3 20.1 1.0
CA C:THR541 4.3 6.4 1.0
CG2 C:THR541 4.3 6.4 1.0
OD1 C:ASP642 4.5 4.7 1.0
O1A C:ADP1000 4.5 20.1 1.0
CG C:ASP642 4.6 4.7 1.0
CE C:MET540 4.7 6.8 1.0
O C:THR643 4.7 4.2 1.0
PA C:ADP1000 4.8 20.1 1.0
CG C:ASP564 4.9 5.7 1.0
CB C:MET540 4.9 6.8 1.0
O2A C:ADP1000 5.0 20.1 1.0
C C:MET540 5.0 6.8 1.0

Magnesium binding site 4 out of 8 in 7nih

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Magnesium binding site 4 out of 8 in the Wzc-K540M Mgadp C8


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 C8 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg1001

b:11.6
occ:1.00
O2B D:ADP1000 2.0 20.1 1.0
OG1 D:THR541 2.1 6.3 1.0
PB D:ADP1000 3.2 20.1 1.0
O1B D:ADP1000 3.4 20.1 1.0
CB D:THR541 3.4 6.3 1.0
OD2 D:ASP564 3.9 6.0 1.0
OD2 D:ASP642 3.9 5.4 1.0
OH C:TYR717 4.0 10.6 1.0
N D:THR541 4.0 6.3 1.0
O3B D:ADP1000 4.3 20.1 1.0
O3A D:ADP1000 4.3 20.1 1.0
CA D:THR541 4.3 6.3 1.0
CG2 D:THR541 4.3 6.3 1.0
OD1 D:ASP642 4.5 5.4 1.0
O1A D:ADP1000 4.5 20.1 1.0
CG D:ASP642 4.6 5.4 1.0
CE D:MET540 4.7 8.0 1.0
O D:THR643 4.7 5.2 1.0
PA D:ADP1000 4.8 20.1 1.0
CG D:ASP564 4.9 6.0 1.0
CB D:MET540 4.9 8.0 1.0
O2A D:ADP1000 5.0 20.1 1.0
C D:MET540 5.0 8.0 1.0

Magnesium binding site 5 out of 8 in 7nih

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Magnesium binding site 5 out of 8 in the Wzc-K540M Mgadp C8


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 C8 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mg1001

b:9.3
occ:1.00
O2B E:ADP1000 2.0 20.1 1.0
OG1 E:THR541 2.1 6.5 1.0
PB E:ADP1000 3.2 20.1 1.0
O1B E:ADP1000 3.4 20.1 1.0
CB E:THR541 3.4 6.5 1.0
OH D:TYR717 3.8 11.3 1.0
OD2 E:ASP564 3.9 6.4 1.0
OD2 E:ASP642 3.9 5.0 1.0
N E:THR541 4.0 6.5 1.0
O3B E:ADP1000 4.3 20.1 1.0
O3A E:ADP1000 4.3 20.1 1.0
CA E:THR541 4.3 6.5 1.0
CG2 E:THR541 4.3 6.5 1.0
OD1 E:ASP642 4.5 5.0 1.0
O1A E:ADP1000 4.5 20.1 1.0
CG E:ASP642 4.6 5.0 1.0
CE E:MET540 4.7 6.7 1.0
O E:THR643 4.7 4.5 1.0
PA E:ADP1000 4.8 20.1 1.0
CG E:ASP564 4.9 6.4 1.0
CB E:MET540 4.9 6.7 1.0
O2A E:ADP1000 5.0 20.1 1.0
C E:MET540 5.0 6.7 1.0

Magnesium binding site 6 out of 8 in 7nih

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Magnesium binding site 6 out of 8 in the Wzc-K540M Mgadp C8


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 C8 within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mg1001

b:11.5
occ:1.00
O2B F:ADP1000 2.0 20.1 1.0
OG1 F:THR541 2.1 6.1 1.0
PB F:ADP1000 3.2 20.1 1.0
O1B F:ADP1000 3.4 20.1 1.0
CB F:THR541 3.4 6.1 1.0
OD2 F:ASP564 3.9 6.1 1.0
OD2 F:ASP642 3.9 5.2 1.0
N F:THR541 4.0 6.1 1.0
OH E:TYR717 4.0 10.7 1.0
O3B F:ADP1000 4.3 20.1 1.0
O3A F:ADP1000 4.3 20.1 1.0
CA F:THR541 4.3 6.1 1.0
CG2 F:THR541 4.3 6.1 1.0
OD1 F:ASP642 4.5 5.2 1.0
O1A F:ADP1000 4.5 20.1 1.0
CG F:ASP642 4.6 5.2 1.0
CE F:MET540 4.7 6.8 1.0
O F:THR643 4.7 4.6 1.0
PA F:ADP1000 4.8 20.1 1.0
CG F:ASP564 4.9 6.1 1.0
CB F:MET540 4.9 6.8 1.0
O2A F:ADP1000 5.0 20.1 1.0
C F:MET540 5.0 6.8 1.0

Magnesium binding site 7 out of 8 in 7nih

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Magnesium binding site 7 out of 8 in the Wzc-K540M Mgadp C8


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 C8 within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Mg1001

b:9.0
occ:1.00
O2B G:ADP1000 2.0 20.1 1.0
OG1 G:THR541 2.1 6.7 1.0
PB G:ADP1000 3.2 20.1 1.0
O1B G:ADP1000 3.4 20.1 1.0
CB G:THR541 3.4 6.7 1.0
OD2 G:ASP564 3.9 5.5 1.0
OD2 G:ASP642 3.9 5.6 1.0
N G:THR541 4.0 6.7 1.0
OH F:TYR717 4.1 10.6 1.0
O3B G:ADP1000 4.3 20.1 1.0
O3A G:ADP1000 4.3 20.1 1.0
CA G:THR541 4.3 6.7 1.0
CG2 G:THR541 4.3 6.7 1.0
OD1 G:ASP642 4.5 5.6 1.0
O1A G:ADP1000 4.5 20.1 1.0
CG G:ASP642 4.6 5.6 1.0
CE G:MET540 4.7 7.3 1.0
O G:THR643 4.7 4.7 1.0
PA G:ADP1000 4.8 20.1 1.0
CG G:ASP564 4.9 5.5 1.0
CB G:MET540 4.9 7.3 1.0
O2A G:ADP1000 5.0 20.1 1.0
C G:MET540 5.0 7.3 1.0

Magnesium binding site 8 out of 8 in 7nih

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Magnesium binding site 8 out of 8 in the Wzc-K540M Mgadp C8


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 C8 within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Mg1001

b:7.3
occ:1.00
O2B H:ADP1000 2.0 4.7 1.0
OG1 H:THR541 2.1 3.7 1.0
PB H:ADP1000 3.2 4.7 1.0
O1B H:ADP1000 3.4 4.7 1.0
CB H:THR541 3.4 3.7 1.0
OD2 H:ASP564 3.9 5.7 1.0
OD2 H:ASP642 3.9 5.4 1.0
OH G:TYR717 4.0 10.6 1.0
N H:THR541 4.0 3.7 1.0
O3B H:ADP1000 4.3 4.7 1.0
O3A H:ADP1000 4.3 4.7 1.0
CA H:THR541 4.3 3.7 1.0
CG2 H:THR541 4.3 3.7 1.0
OD1 H:ASP642 4.5 5.4 1.0
O1A H:ADP1000 4.5 4.7 1.0
CG H:ASP642 4.6 5.4 1.0
CE H:MET540 4.7 5.0 1.0
O H:THR643 4.7 4.5 1.0
PA H:ADP1000 4.8 4.7 1.0
CG H:ASP564 4.9 5.7 1.0
CB H:MET540 4.9 5.0 1.0
O2A H:ADP1000 5.0 4.7 1.0
C H:MET540 5.0 5.0 1.0

Reference:

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
Page generated: Fri Sep 24 15:26:31 2021

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