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Magnesium in PDB 4dck: Crystal Structure of the C-Terminus of Voltage-Gated Sodium Channel in Complex with FGF13 and Cam

Protein crystallography data

The structure of Crystal Structure of the C-Terminus of Voltage-Gated Sodium Channel in Complex with FGF13 and Cam, PDB code: 4dck was solved by B.C.Chung, C.Wang, H.Yan, G.S.Pitt, S.Y.Lee, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.86 / 2.20
Space group P 21 3
Cell size a, b, c (Å), α, β, γ (°) 126.041, 126.041, 126.041, 90.00, 90.00, 90.00
R / Rfree (%) 21 / 22.7

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of the C-Terminus of Voltage-Gated Sodium Channel in Complex with FGF13 and Cam (pdb code 4dck). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of the C-Terminus of Voltage-Gated Sodium Channel in Complex with FGF13 and Cam, PDB code: 4dck:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in 4dck

Go back to Magnesium Binding Sites List in 4dck
Magnesium binding site 1 out of 3 in the Crystal Structure of the C-Terminus of Voltage-Gated Sodium Channel in Complex with FGF13 and Cam


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 C-Terminus of Voltage-Gated Sodium Channel in Complex with FGF13 and Cam within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg201

b:41.1
occ:1.00
OD1 B:ASP130 2.0 40.4 1.0
OD1 B:ASP132 2.0 47.5 1.0
OD1 B:ASP134 2.1 43.7 1.0
O B:GLN136 2.2 36.3 1.0
O B:HOH304 2.3 43.0 1.0
O B:HOH309 2.4 47.9 1.0
CG B:ASP132 3.0 40.9 1.0
CG B:ASP134 3.0 47.8 1.0
CG B:ASP130 3.2 40.3 1.0
OD2 B:ASP132 3.2 41.3 1.0
C B:GLN136 3.4 38.6 1.0
OD2 B:ASP134 3.5 45.2 1.0
N B:GLN136 3.9 38.8 1.0
N B:ASP134 4.0 44.8 1.0
CA B:GLN136 4.0 38.0 1.0
OD2 B:ASP130 4.1 44.6 1.0
CA B:ASP130 4.1 41.5 1.0
CB B:ASP130 4.1 43.1 1.0
CB B:ASP134 4.2 46.1 1.0
CB B:GLN136 4.3 42.6 1.0
C B:ASP130 4.4 44.5 1.0
CB B:ASP132 4.4 43.7 1.0
N B:GLY133 4.4 45.2 1.0
O B:HOH323 4.4 55.1 1.0
N B:ASP132 4.4 40.9 1.0
N B:VAL137 4.5 41.0 1.0
O B:HOH342 4.5 44.7 1.0
CA B:ASP134 4.5 44.1 1.0
N B:GLY135 4.7 45.8 1.0
CA B:ASP132 4.7 46.1 1.0
O B:ASP130 4.7 41.8 1.0
CA B:VAL137 4.7 40.0 1.0
N B:ILE131 4.7 45.7 1.0
C B:ASP132 4.8 45.3 1.0
C B:ASP134 4.8 49.2 1.0
C B:GLY133 5.0 46.2 1.0

Magnesium binding site 2 out of 3 in 4dck

Go back to Magnesium Binding Sites List in 4dck
Magnesium binding site 2 out of 3 in the Crystal Structure of the C-Terminus of Voltage-Gated Sodium Channel in Complex with FGF13 and Cam


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 C-Terminus of Voltage-Gated Sodium Channel in Complex with FGF13 and Cam within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg202

b:47.4
occ:1.00
O B:HOH358 1.8 49.2 1.0
OD2 B:ASP132 2.0 41.3 1.0
O B:HOH311 2.4 49.9 1.0
O B:HOH303 2.4 50.6 1.0
O B:HOH301 2.6 44.5 1.0
CG B:ASP132 3.0 40.9 1.0
CB B:ASP132 3.5 43.7 1.0
OD2 B:ASP134 3.8 45.2 1.0
OD1 B:ASP132 4.1 47.5 1.0
CG B:ASP134 4.2 47.8 1.0
CB B:ASP134 4.4 46.1 1.0
O B:HOH341 4.5 39.0 1.0
O B:HOH309 4.5 47.9 1.0
O B:HOH323 4.7 55.1 1.0
O B:HOH347 4.8 56.7 1.0
CA B:ASP132 4.9 46.1 1.0
OD1 B:ASP134 4.9 43.7 1.0

Magnesium binding site 3 out of 3 in 4dck

Go back to Magnesium Binding Sites List in 4dck
Magnesium binding site 3 out of 3 in the Crystal Structure of the C-Terminus of Voltage-Gated Sodium Channel in Complex with FGF13 and Cam


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 C-Terminus of Voltage-Gated Sodium Channel in Complex with FGF13 and Cam within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg203

b:43.6
occ:1.00
OD1 B:ASP96 2.0 46.0 1.0
OD1 B:ASN98 2.1 43.1 1.0
OD1 B:ASP94 2.2 39.8 1.0
O B:TYR100 2.2 39.8 1.0
O B:HOH339 2.4 44.1 1.0
O B:HOH306 2.4 44.7 1.0
OD2 B:ASP96 2.6 45.3 1.0
CG B:ASP96 2.6 46.0 1.0
CG B:ASN98 3.0 46.7 1.0
C B:TYR100 3.4 42.1 1.0
CG B:ASP94 3.4 39.7 1.0
ND2 B:ASN98 3.5 42.5 1.0
O B:HOH313 3.9 52.4 1.0
N B:TYR100 4.0 35.0 1.0
O B:HOH324 4.1 44.0 1.0
CA B:TYR100 4.1 39.6 1.0
CB B:ASP96 4.1 44.4 1.0
OD2 B:ASP94 4.2 35.6 1.0
O B:HOH316 4.2 43.8 1.0
N B:ASN98 4.2 40.2 1.0
CB B:ASN98 4.3 40.1 1.0
N B:ILE101 4.4 38.9 1.0
CB B:TYR100 4.4 41.1 1.0
CB B:ASP94 4.4 35.3 1.0
CA B:ASP94 4.5 39.9 1.0
N B:ASP96 4.5 44.0 1.0
N B:GLY97 4.6 42.2 1.0
CA B:ILE101 4.6 40.9 1.0
C B:ASP94 4.6 39.2 1.0
CA B:ASN98 4.7 45.9 1.0
CA B:ASP96 4.7 37.3 1.0
C B:ASP96 4.8 43.5 1.0
N B:GLY99 4.8 41.7 1.0
O B:ASP94 5.0 42.7 1.0
N B:LYS95 5.0 36.8 1.0
C B:ASN98 5.0 48.0 1.0

Reference:

C.Wang, B.C.Chung, H.Yan, S.Y.Lee, G.S.Pitt. Crystal Structure of the Ternary Complex of A Nav C-Terminal Domain, A Fibroblast Growth Factor Homologous Factor, and Calmodulin. Structure V. 20 1167 2012.
ISSN: ISSN 0969-2126
PubMed: 22705208
DOI: 10.1016/J.STR.2012.05.001
Page generated: Mon Dec 14 12:06:53 2020

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