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Magnesium in PDB 6b8q: Crystal Structure of the MG2+/Cam:KV7.5 (KCNQ5) Ab Domain Complex

Protein crystallography data

The structure of Crystal Structure of the MG2+/Cam:KV7.5 (KCNQ5) Ab Domain Complex, PDB code: 6b8q was solved by A.Chang, F.Abderemane-Ali, D.L.Minor, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.74 / 2.60
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 70.821, 116.845, 119.812, 90.00, 90.00, 90.00
R / Rfree (%) 22.2 / 27

Magnesium Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 15;

Binding sites:

The binding sites of Magnesium atom in the Crystal Structure of the MG2+/Cam:KV7.5 (KCNQ5) Ab Domain Complex (pdb code 6b8q). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 15 binding sites of Magnesium where determined in the Crystal Structure of the MG2+/Cam:KV7.5 (KCNQ5) Ab Domain Complex, PDB code: 6b8q:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Magnesium binding site 1 out of 15 in 6b8q

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Magnesium binding site 1 out of 15 in the Crystal Structure of the MG2+/Cam:KV7.5 (KCNQ5) Ab Domain Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of the MG2+/Cam:KV7.5 (KCNQ5) Ab Domain Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg201

b:48.3
occ:1.00
OD1 B:ASP24 2.0 54.3 1.0
O B:THR26 2.1 50.4 1.0
OD2 B:ASP20 2.2 55.7 1.0
OE2 B:GLU31 2.3 48.4 1.0
OD1 B:ASP22 2.4 62.9 1.0
OE1 B:GLU31 3.0 44.3 1.0
CD B:GLU31 3.0 49.7 1.0
CG B:ASP24 3.0 55.9 1.0
C B:THR26 3.2 53.2 1.0
OG1 B:THR26 3.3 54.5 1.0
CG B:ASP22 3.3 55.0 1.0
CG B:ASP20 3.4 55.7 1.0
OD2 B:ASP24 3.4 54.6 1.0
OD2 B:ASP22 3.4 48.8 1.0
N B:THR26 3.6 45.3 1.0
CA B:THR26 3.8 56.8 1.0
CB B:ASP20 4.1 54.6 1.0
CB B:THR26 4.1 57.6 1.0
CA B:ASP20 4.2 53.0 1.0
N B:ILE27 4.2 43.4 1.0
N B:ASP24 4.2 44.8 1.0
OD1 B:ASP20 4.2 54.8 1.0
CB B:ASP24 4.4 56.9 1.0
CG B:GLU31 4.5 47.2 1.0
N B:GLY25 4.5 61.8 1.0
CA B:ILE27 4.6 51.5 1.0
CA B:ASP24 4.7 49.7 1.0
CB B:ASP22 4.7 56.3 1.0
C B:ASP24 4.7 59.3 1.0
N B:GLY23 4.7 62.4 1.0
C B:ASP20 4.8 64.5 1.0
C B:GLY25 4.8 51.5 1.0
N B:ASP22 4.8 69.8 1.0

Magnesium binding site 2 out of 15 in 6b8q

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Magnesium binding site 2 out of 15 in the Crystal Structure of the MG2+/Cam:KV7.5 (KCNQ5) Ab Domain Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of the MG2+/Cam:KV7.5 (KCNQ5) Ab Domain Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg202

b:41.5
occ:1.00
OD1 B:ASP56 2.2 54.9 1.0
OD1 B:ASN60 2.2 68.8 1.0
OD1 B:ASP58 2.2 58.3 1.0
O B:THR62 2.4 50.3 1.0
OE1 B:GLU67 2.5 59.5 1.0
OD2 B:ASP58 2.5 67.6 1.0
CG B:ASP58 2.7 60.5 1.0
OE2 B:GLU67 2.7 59.2 1.0
CD B:GLU67 2.9 58.2 1.0
CG B:ASN60 3.3 63.9 1.0
CG B:ASP56 3.4 52.7 1.0
C B:THR62 3.5 50.4 1.0
OD1 B:ASP64 3.7 69.9 1.0
OD2 B:ASP56 4.0 62.8 1.0
N B:ASN60 4.1 62.7 1.0
CB B:ASN60 4.1 48.3 1.0
CB B:ASP58 4.2 60.4 1.0
ND2 B:ASN60 4.3 80.5 1.0
N B:THR62 4.3 55.3 1.0
N B:ILE63 4.4 45.0 1.0
CA B:ILE63 4.4 47.5 1.0
CG B:GLU67 4.4 48.1 1.0
N B:ASP64 4.4 36.3 1.0
N B:ASP58 4.5 60.2 1.0
N B:GLY59 4.5 61.3 1.0
CA B:THR62 4.5 51.3 1.0
CB B:ASP56 4.5 48.9 1.0
CA B:ASP56 4.5 43.8 1.0
CG B:ASP64 4.5 53.4 1.0
OG1 B:THR62 4.6 53.4 1.0
CA B:ASN60 4.6 54.7 1.0
N B:GLY61 4.7 52.3 1.0
CA B:ASP58 4.7 59.2 1.0
C B:ASP56 4.8 47.8 1.0
C B:ILE63 4.9 50.8 1.0
N B:ALA57 4.9 53.2 1.0
CD1 B:ILE63 4.9 58.0 1.0
C B:ASN60 4.9 58.4 1.0
C B:ASP58 4.9 70.2 1.0

Magnesium binding site 3 out of 15 in 6b8q

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Magnesium binding site 3 out of 15 in the Crystal Structure of the MG2+/Cam:KV7.5 (KCNQ5) Ab Domain Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of the MG2+/Cam:KV7.5 (KCNQ5) Ab Domain Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg203

b:56.0
occ:1.00
OD2 B:ASP131 2.2 64.1 1.0
OD1 B:ASP133 2.4 61.7 1.0
O B:GLN135 2.4 63.2 1.0
OD1 B:ASP129 2.8 57.0 1.0
CG B:ASP131 3.0 54.3 1.0
OD1 B:ASP131 3.2 58.0 1.0
CG B:ASP133 3.2 60.3 1.0
C B:GLN135 3.5 62.4 1.0
OD2 B:ASP133 3.6 63.9 1.0
CG B:ASP129 3.9 55.2 1.0
CA B:GLN135 4.3 60.2 1.0
N B:GLN135 4.3 55.0 1.0
CA B:ASP129 4.4 63.5 1.0
CB B:GLN135 4.4 65.1 1.0
N B:VAL136 4.4 70.5 1.0
CB B:ASP131 4.4 51.6 1.0
N B:ASP133 4.5 48.4 1.0
CB B:ASP133 4.5 52.2 1.0
N B:ASP131 4.6 62.2 1.0
CA B:VAL136 4.6 62.3 1.0
CB B:ASP129 4.6 57.4 1.0
N B:GLY132 4.7 57.1 1.0
C B:ASP129 4.8 64.2 1.0
N B:ILE130 4.8 68.0 1.0
OD2 B:ASP129 4.8 55.8 1.0
N B:ASN137 4.9 53.0 1.0
CA B:ASP131 5.0 53.2 1.0
CA B:ASP133 5.0 58.8 1.0

Magnesium binding site 4 out of 15 in 6b8q

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Magnesium binding site 4 out of 15 in the Crystal Structure of the MG2+/Cam:KV7.5 (KCNQ5) Ab Domain Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of the MG2+/Cam:KV7.5 (KCNQ5) Ab Domain Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg201

b:45.0
occ:1.00
OD1 D:ASP22 2.0 54.4 1.0
OD1 D:ASP20 2.0 53.2 1.0
O D:HOH302 2.2 52.0 1.0
OD1 D:ASP24 2.3 49.2 1.0
OE1 D:GLU31 2.3 48.2 1.0
O D:THR26 2.3 46.4 1.0
OE2 D:GLU31 2.9 54.0 1.0
CD D:GLU31 2.9 53.7 1.0
CG D:ASP22 3.0 52.6 1.0
OD2 D:ASP22 3.2 46.5 1.0
CG D:ASP24 3.2 47.7 1.0
CG D:ASP20 3.3 54.3 1.0
C D:THR26 3.5 46.8 1.0
MG D:MG204 3.6 41.4 1.0
OD2 D:ASP24 3.6 46.5 1.0
CA D:ASP20 3.9 60.2 1.0
N D:THR26 4.0 50.8 1.0
CB D:ASP20 4.0 53.9 1.0
OG1 D:THR26 4.0 51.2 1.0
OD2 D:ASP20 4.2 50.9 1.0
N D:ASP22 4.2 50.7 1.0
CA D:THR26 4.3 53.7 1.0
N D:ASP24 4.3 48.6 1.0
CB D:ASP22 4.3 47.4 1.0
C D:ASP20 4.4 60.8 1.0
CG D:GLU31 4.4 67.5 1.0
N D:LYS21 4.5 56.4 1.0
N D:ILE27 4.5 46.5 1.0
OD2 H:ASP22 4.5 50.7 1.0
N D:GLY23 4.5 43.9 1.0
CB D:ASP24 4.6 44.3 1.0
N D:GLY25 4.7 50.8 1.0
CA D:ASP22 4.7 64.8 1.0
CA D:ILE27 4.7 48.2 1.0
CA D:ASP24 4.8 49.2 1.0
CB D:THR26 4.8 51.4 1.0
C D:ASP22 4.8 46.5 1.0
C D:ASP24 4.9 48.4 1.0
OD2 H:ASP24 5.0 49.5 1.0

Magnesium binding site 5 out of 15 in 6b8q

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Magnesium binding site 5 out of 15 in the Crystal Structure of the MG2+/Cam:KV7.5 (KCNQ5) Ab Domain Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Crystal Structure of the MG2+/Cam:KV7.5 (KCNQ5) Ab Domain Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg202

b:43.8
occ:1.00
OE1 D:GLU67 2.3 73.6 1.0
OD1 D:ASP58 2.4 73.6 1.0
OD1 D:ASN60 2.5 78.7 1.0
O D:THR62 2.5 64.8 1.0
OD2 D:ASP56 2.5 55.6 1.0
OE2 D:GLU67 2.7 71.4 1.0
CD D:GLU67 2.8 74.7 1.0
OD2 D:ASP58 2.9 66.1 1.0
CG D:ASP58 3.0 73.0 1.0
CG D:ASN60 3.2 62.9 1.0
ND2 D:ASN60 3.3 74.6 1.0
C D:THR62 3.6 62.3 1.0
CG D:ASP56 3.7 61.9 1.0
OD1 D:ASP64 4.2 70.8 1.0
OG1 D:THR62 4.3 60.7 1.0
CG D:GLU67 4.3 69.1 1.0
OD1 D:ASP56 4.3 62.5 1.0
N D:THR62 4.3 58.0 1.0
N D:ILE63 4.4 63.9 1.0
CB D:ASP58 4.4 60.1 1.0
CA D:ILE63 4.5 60.5 1.0
CB D:ASN60 4.5 64.3 1.0
N D:ASP64 4.5 50.7 1.0
CA D:THR62 4.5 64.6 1.0
N D:ASN60 4.6 70.0 1.0
N D:ASP58 4.6 74.8 1.0
CG D:ASP64 4.7 69.7 1.0
CB D:ASP56 4.8 64.6 1.0
CA D:ASP56 4.9 71.3 1.0
N D:GLY61 4.9 68.5 1.0
N D:GLY59 4.9 71.4 1.0
N D:ALA57 4.9 72.0 1.0
C D:ILE63 5.0 47.6 1.0

Magnesium binding site 6 out of 15 in 6b8q

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Magnesium binding site 6 out of 15 in the Crystal Structure of the MG2+/Cam:KV7.5 (KCNQ5) Ab Domain Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Crystal Structure of the MG2+/Cam:KV7.5 (KCNQ5) Ab Domain Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg203

b:75.3
occ:1.00
O D:GLN135 2.0 88.7 1.0
OD1 D:ASP129 2.2 77.9 1.0
OD2 D:ASP131 2.5 99.8 1.0
OD1 D:ASP133 2.6 86.0 1.0
OD1 D:ASP131 2.8 71.0 1.0
CG D:ASP131 3.0 87.3 1.0
O D:HOH303 3.2 67.1 1.0
C D:GLN135 3.2 78.9 1.0
CG D:ASP133 3.4 91.1 1.0
CG D:ASP129 3.5 85.2 1.0
OD2 D:ASP133 3.6 96.7 1.0
CA D:VAL136 3.9 77.9 1.0
N D:VAL136 4.0 65.9 1.0
CA D:ASP129 4.2 79.4 1.0
N D:GLN135 4.3 70.9 1.0
CA D:GLN135 4.3 79.4 1.0
CB D:ASP129 4.3 82.7 1.0
OD2 D:ASP129 4.3 93.6 1.0
O D:ALA128 4.5 75.0 1.0
CB D:ASP131 4.5 90.2 1.0
N D:ASN137 4.5 75.4 1.0
C D:VAL136 4.7 77.1 1.0
CB D:GLN135 4.8 91.0 1.0
N D:ASP131 4.8 88.9 1.0
CB D:ASP133 4.9 88.8 1.0
C D:ASP129 4.9 80.3 1.0
N D:ASP133 4.9 82.5 1.0

Magnesium binding site 7 out of 15 in 6b8q

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Magnesium binding site 7 out of 15 in the Crystal Structure of the MG2+/Cam:KV7.5 (KCNQ5) Ab Domain Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Crystal Structure of the MG2+/Cam:KV7.5 (KCNQ5) Ab Domain Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg204

b:41.4
occ:1.00
OD2 H:ASP22 2.0 50.7 1.0
OD2 D:ASP24 2.0 46.5 1.0
OD2 D:ASP22 2.0 46.5 1.0
O H:HOH301 2.2 49.1 1.0
OD2 H:ASP24 2.3 49.5 1.0
O D:HOH302 2.4 52.0 1.0
CG D:ASP24 3.1 47.7 1.0
CG H:ASP22 3.1 56.9 1.0
CG D:ASP22 3.2 52.6 1.0
CG H:ASP24 3.2 52.8 1.0
MG H:MG201 3.5 42.3 1.0
OD1 D:ASP24 3.5 49.2 1.0
OD1 H:ASP22 3.5 59.2 1.0
MG D:MG201 3.6 45.0 1.0
OD1 H:ASP24 3.6 50.8 1.0
OD1 D:ASP22 3.6 54.4 1.0
OE2 H:GLU31 3.6 37.9 1.0
OE2 D:GLU31 3.7 54.0 1.0
OG1 D:THR26 4.3 51.2 1.0
OG1 H:THR26 4.3 46.0 1.0
CD H:GLU31 4.4 41.9 1.0
CB D:ASP24 4.4 44.3 1.0
CB H:ASP22 4.4 56.4 1.0
CD D:GLU31 4.4 53.7 1.0
CB D:ASP22 4.4 47.4 1.0
CB H:ASP24 4.4 35.7 1.0
CG2 H:THR28 4.5 43.0 1.0
OE1 D:GLU31 4.7 48.2 1.0
OE1 H:GLU31 4.7 50.8 1.0
CG2 D:THR28 4.7 44.8 1.0
O D:THR26 4.9 46.4 1.0

Magnesium binding site 8 out of 15 in 6b8q

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Magnesium binding site 8 out of 15 in the Crystal Structure of the MG2+/Cam:KV7.5 (KCNQ5) Ab Domain Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of Crystal Structure of the MG2+/Cam:KV7.5 (KCNQ5) Ab Domain Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mg201

b:44.3
occ:1.00
OE2 F:GLU31 2.0 54.4 1.0
OD1 F:ASP22 2.1 65.3 1.0
O F:THR26 2.1 40.1 1.0
OD2 F:ASP24 2.3 53.8 1.0
OD1 F:ASP20 2.4 53.0 1.0
CD F:GLU31 2.7 51.4 1.0
OE1 F:GLU31 2.7 50.0 1.0
CG F:ASP22 2.9 60.4 1.0
CG F:ASP24 3.2 55.2 1.0
OD2 F:ASP22 3.2 52.4 1.0
C F:THR26 3.3 47.1 1.0
OD1 F:ASP24 3.4 49.9 1.0
MG F:MG204 3.4 55.0 1.0
CG F:ASP20 3.6 57.4 1.0
CA F:THR26 4.1 58.2 1.0
N F:THR26 4.1 51.8 1.0
CA F:ASP20 4.1 48.3 1.0
CG F:GLU31 4.2 55.1 1.0
CB F:THR26 4.2 63.6 1.0
N F:ILE27 4.3 46.9 1.0
CB F:ASP22 4.3 56.1 1.0
CB F:ASP20 4.4 52.5 1.0
N F:ASP22 4.4 52.5 1.0
N F:ASP24 4.4 54.9 1.0
CG2 F:THR26 4.4 48.6 1.0
OD2 F:ASP20 4.5 58.6 1.0
C F:ASP20 4.5 48.3 1.0
CA F:ILE27 4.5 48.2 1.0
CB F:ASP24 4.5 54.1 1.0
N F:GLY23 4.6 59.1 1.0
N F:LYS21 4.7 51.0 1.0
CA F:ASP22 4.7 60.6 1.0
C F:ASP22 4.9 55.6 1.0
CA F:ASP24 4.9 57.9 1.0

Magnesium binding site 9 out of 15 in 6b8q

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Magnesium binding site 9 out of 15 in the Crystal Structure of the MG2+/Cam:KV7.5 (KCNQ5) Ab Domain Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 9 of Crystal Structure of the MG2+/Cam:KV7.5 (KCNQ5) Ab Domain Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mg202

b:56.8
occ:1.00
OD2 F:ASP58 1.9 82.2 1.0
OD1 F:ASP58 2.3 82.8 1.0
OD1 F:ASP56 2.3 66.4 1.0
CG F:ASP58 2.4 82.2 1.0
O F:THR62 2.4 67.6 1.0
OE1 F:GLU67 2.8 71.9 1.0
OD1 F:ASN60 2.9 81.8 1.0
OE2 F:GLU67 3.2 81.8 1.0
CD F:GLU67 3.4 71.0 1.0
C F:THR62 3.5 65.4 1.0
CG F:ASN60 3.6 78.7 1.0
CG F:ASP56 3.6 83.8 1.0
ND2 F:ASN60 3.7 73.8 1.0
CB F:ASP58 3.9 71.5 1.0
CA F:ILE63 4.1 58.4 1.0
O F:ASN60 4.1 89.1 1.0
N F:ILE63 4.1 61.3 1.0
N F:ASP64 4.3 60.8 1.0
N F:ASP58 4.3 87.2 1.0
OD2 F:ASP56 4.3 98.3 1.0
OG1 F:THR62 4.4 53.1 1.0
N F:THR62 4.5 57.2 1.0
CA F:THR62 4.5 66.8 1.0
CB F:ASP56 4.6 74.3 1.0
C F:ILE63 4.6 55.9 1.0
CA F:ASP58 4.6 78.9 1.0
OD2 F:ASP64 4.7 91.1 1.0
N F:ASN60 4.7 77.7 1.0
N F:GLY59 4.7 79.2 1.0
C F:ASN60 4.7 77.7 1.0
CA F:ASP56 4.8 76.0 1.0
CB F:ASN60 4.9 61.0 1.0
N F:ALA57 4.9 74.1 1.0
CG F:GLU67 4.9 81.5 1.0

Magnesium binding site 10 out of 15 in 6b8q

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Magnesium binding site 10 out of 15 in the Crystal Structure of the MG2+/Cam:KV7.5 (KCNQ5) Ab Domain Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 10 of Crystal Structure of the MG2+/Cam:KV7.5 (KCNQ5) Ab Domain Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mg203

b:97.7
occ:1.00
OD1 F:ASP131 1.9 0.2 1.0
O F:GLN135 2.2 0.8 1.0
CG F:ASP131 2.8 0.9 1.0
C F:GLN135 3.4 97.1 1.0
OD2 F:ASP131 3.4 0.0 1.0
OD2 F:ASP129 3.4 0.9 1.0
CA F:VAL136 3.6 96.4 1.0
OD2 F:ASP133 3.8 86.4 1.0
N F:ASN137 3.8 0.8 1.0
CB F:ASP131 3.9 0.1 1.0
OD1 F:ASP133 3.9 99.9 1.0
N F:VAL136 3.9 85.0 1.0
CE1 F:TYR99 4.0 0.8 1.0
C F:VAL136 4.1 0.3 1.0
CG F:ASP133 4.2 98.2 1.0
CG F:ASP129 4.4 96.1 1.0
CD1 F:TYR99 4.5 1.0 1.0
CA F:GLN135 4.6 95.8 1.0
CB F:VAL136 4.8 93.2 1.0
N F:GLN135 4.8 99.9 1.0
CG2 F:VAL136 4.9 94.2 1.0
CB F:ASN137 4.9 0.2 1.0
CZ F:TYR99 4.9 0.2 1.0
CA F:ASN137 5.0 0.1 1.0
OD1 F:ASP129 5.0 99.9 1.0

Reference:

A.Chang, F.Abderemane-Ali, G.L.Hura, N.D.Rossen, R.E.Gate, D.L.Minor. A Calmodulin C-Lobe Ca Neuron V. 97 836 2018.
ISSN: ISSN 1097-4199
PubMed: 29429937
DOI: 10.1016/J.NEURON.2018.01.035
Page generated: Mon Sep 30 19:38:10 2024

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