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Magnesium in PDB 4jx0: Crystal Structure of A Two Domain Protein with Unknown Function (BF3416) From Bacteroides Fragilis Nctc 9343 at 2.90 A Resolution

Protein crystallography data

The structure of Crystal Structure of A Two Domain Protein with Unknown Function (BF3416) From Bacteroides Fragilis Nctc 9343 at 2.90 A Resolution, PDB code: 4jx0 was solved by Joint Center For Structural Genomics (Jcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.83 / 2.90
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 80.341, 118.742, 239.871, 90.00, 90.00, 90.00
R / Rfree (%) 19.5 / 22.9

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of A Two Domain Protein with Unknown Function (BF3416) From Bacteroides Fragilis Nctc 9343 at 2.90 A Resolution (pdb code 4jx0). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of A Two Domain Protein with Unknown Function (BF3416) From Bacteroides Fragilis Nctc 9343 at 2.90 A Resolution, PDB code: 4jx0:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 4jx0

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Magnesium binding site 1 out of 4 in the Crystal Structure of A Two Domain Protein with Unknown Function (BF3416) From Bacteroides Fragilis Nctc 9343 at 2.90 A Resolution


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 A Two Domain Protein with Unknown Function (BF3416) From Bacteroides Fragilis Nctc 9343 at 2.90 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg401

b:41.9
occ:0.50
O A:HOH408 2.2 41.1 0.5
O A:HOH404 2.2 41.1 0.5
O A:HOH405 2.2 42.7 0.5
O A:HOH407 2.2 43.1 0.5
O A:HOH406 2.2 43.1 0.5
O A:HOH409 2.2 42.7 0.5
OG1 A:THR147 3.8 40.7 1.0
OE2 A:GLU144 4.0 67.3 1.0
OE1 A:GLU144 4.0 51.4 1.0
O A:VAL139 4.3 42.3 1.0
CD A:GLU144 4.5 66.3 1.0
CB A:THR147 4.8 43.1 1.0
CA A:THR147 5.0 39.8 1.0

Magnesium binding site 2 out of 4 in 4jx0

Go back to Magnesium Binding Sites List in 4jx0
Magnesium binding site 2 out of 4 in the Crystal Structure of A Two Domain Protein with Unknown Function (BF3416) From Bacteroides Fragilis Nctc 9343 at 2.90 A Resolution


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 A Two Domain Protein with Unknown Function (BF3416) From Bacteroides Fragilis Nctc 9343 at 2.90 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg402

b:22.6
occ:1.00
O A:ASN236 2.1 33.1 1.0
O A:HOH410 2.2 33.4 1.0
O A:SER231 2.2 31.6 1.0
O A:ASN337 2.2 30.9 1.0
OD1 A:ASP234 2.3 42.4 1.0
OE1 A:GLU338 2.4 40.9 1.0
C A:ASN236 3.3 33.0 1.0
CG A:ASP234 3.3 42.2 1.0
C A:ASN337 3.3 30.9 1.0
C A:SER231 3.4 32.9 1.0
CD A:GLU338 3.5 52.7 1.0
CB A:GLU338 3.6 27.5 1.0
OD2 A:ASP234 3.8 46.4 1.0
CA A:GLU338 3.8 26.3 1.0
N A:GLU338 4.0 26.7 1.0
CA A:ASN236 4.0 30.1 1.0
CG A:GLU338 4.1 37.0 1.0
N A:ASN236 4.2 31.0 1.0
CB A:ASN236 4.2 29.9 1.0
CA A:SER231 4.2 31.4 1.0
N A:PHE237 4.3 28.5 1.0
N A:ASP234 4.3 30.7 1.0
O A:ASP234 4.4 39.5 1.0
N A:LEU232 4.4 28.7 1.0
CA A:LEU232 4.4 27.7 1.0
C A:LEU232 4.5 31.5 1.0
CB A:SER231 4.5 34.9 1.0
CA A:ASN337 4.5 26.8 1.0
OE2 A:GLU338 4.5 43.5 1.0
CB A:ASP234 4.5 32.1 1.0
C A:ASP234 4.6 37.8 1.0
CA A:PHE237 4.6 27.4 1.0
O A:ALA239 4.7 40.9 1.0
CA A:ASP234 4.7 30.6 1.0
N A:ASN233 4.8 27.9 1.0
O A:LEU232 4.8 31.0 1.0
CB A:ASN337 5.0 27.0 1.0
C A:GLY235 5.0 34.4 1.0

Magnesium binding site 3 out of 4 in 4jx0

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Magnesium binding site 3 out of 4 in the Crystal Structure of A Two Domain Protein with Unknown Function (BF3416) From Bacteroides Fragilis Nctc 9343 at 2.90 A Resolution


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 A Two Domain Protein with Unknown Function (BF3416) From Bacteroides Fragilis Nctc 9343 at 2.90 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg401

b:46.4
occ:0.50
O B:HOH404 2.2 46.0 0.5
O B:HOH409 2.2 46.0 0.5
O B:HOH406 2.2 46.6 0.5
O B:HOH408 2.2 46.2 0.5
O B:HOH405 2.2 46.0 0.5
O B:HOH407 2.2 46.5 0.5
OG1 B:THR147 3.8 42.7 1.0
OE1 B:GLU144 4.1 70.0 1.0
OE2 B:GLU144 4.1 60.2 1.0
O B:VAL139 4.3 40.9 1.0
CD B:GLU144 4.5 70.3 1.0
CB B:THR147 4.8 42.4 1.0
O B:HOH489 4.9 32.3 1.0
CA B:THR147 5.0 37.0 1.0

Magnesium binding site 4 out of 4 in 4jx0

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Magnesium binding site 4 out of 4 in the Crystal Structure of A Two Domain Protein with Unknown Function (BF3416) From Bacteroides Fragilis Nctc 9343 at 2.90 A Resolution


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 A Two Domain Protein with Unknown Function (BF3416) From Bacteroides Fragilis Nctc 9343 at 2.90 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg402

b:24.9
occ:1.00
O B:ASN236 2.0 39.4 1.0
OD1 B:ASP234 2.0 47.4 1.0
O B:SER231 2.3 35.7 1.0
OE1 B:GLU338 2.3 37.1 1.0
O B:HOH410 2.3 40.8 1.0
O B:ASN337 2.5 29.6 1.0
C B:ASN236 3.1 39.3 1.0
CG B:ASP234 3.1 46.9 1.0
CD B:GLU338 3.4 46.3 1.0
C B:SER231 3.5 36.1 1.0
C B:ASN337 3.6 30.7 1.0
OD2 B:ASP234 3.7 54.2 1.0
CB B:GLU338 3.7 27.9 1.0
CA B:ASN236 3.8 36.1 1.0
N B:ASN236 3.9 37.1 1.0
CB B:ASN236 4.0 35.0 1.0
CA B:GLU338 4.0 27.1 1.0
CG B:GLU338 4.1 33.6 1.0
O B:ASP234 4.1 41.1 1.0
N B:ASP234 4.2 36.4 1.0
N B:PHE237 4.2 34.8 1.0
N B:GLU338 4.2 27.7 1.0
CA B:SER231 4.3 31.4 1.0
CB B:ASP234 4.3 37.4 1.0
C B:ASP234 4.4 41.5 1.0
OE2 B:GLU338 4.4 38.0 1.0
N B:LEU232 4.5 32.7 1.0
CA B:ASP234 4.5 36.2 1.0
C B:LEU232 4.6 36.7 1.0
CA B:LEU232 4.6 32.3 1.0
CA B:PHE237 4.6 34.1 1.0
CB B:SER231 4.6 34.6 1.0
C B:GLY235 4.7 42.0 1.0
N B:ASN233 4.8 33.2 1.0
CA B:ASN337 4.8 26.6 1.0
O B:ALA239 4.9 34.4 1.0
O B:LEU232 4.9 36.9 1.0

Reference:

Joint Center For Structural Genomics (Jcsg), Joint Center For Structural Genomics (Jcsg). N/A N/A.
Page generated: Sat Aug 17 03:20:44 2024

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