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
Go back to
Magnesium Binding Sites List in 4jx0
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
Go back to
Magnesium Binding Sites List in 4jx0
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
Go back to
Magnesium Binding Sites List in 4jx0
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
|