Magnesium in PDB 1mfr: Crystal Structure of M Ferritin
Protein crystallography data
The structure of Crystal Structure of M Ferritin, PDB code: 1mfr
was solved by
Y.Ha,
D.Shi,
N.M.Allewell,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
10.00 /
2.80
|
Space group
|
P 31 2 1 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
210.800,
210.800,
328.100,
90.00,
90.00,
120.00
|
R / Rfree (%)
|
19 /
19.4
|
Magnesium Binding Sites:
Magnesium binding site 1 out
of 48 in 1mfr
Go back to
Magnesium Binding Sites List in 1mfr
Magnesium binding site 1 out
of 48 in the Crystal Structure of M Ferritin
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 M Ferritin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg176
b:51.0
occ:1.00
|
OE1
|
A:GLU58
|
2.0
|
36.9
|
1.0
|
OE1
|
A:GLU23
|
2.4
|
34.3
|
1.0
|
OE2
|
A:GLU23
|
2.5
|
36.8
|
1.0
|
ND1
|
A:HIS61
|
2.7
|
42.3
|
1.0
|
CD
|
A:GLU23
|
2.8
|
34.1
|
1.0
|
CD
|
A:GLU58
|
3.2
|
38.9
|
1.0
|
OE1
|
A:GLN137
|
3.4
|
38.5
|
1.0
|
CE1
|
A:HIS61
|
3.5
|
42.9
|
1.0
|
OE2
|
A:GLU58
|
3.7
|
43.1
|
1.0
|
CG
|
A:HIS61
|
3.7
|
39.6
|
1.0
|
CG1
|
A:VAL106
|
3.8
|
22.1
|
1.0
|
MG
|
A:MG177
|
4.0
|
51.0
|
1.0
|
CB
|
A:HIS61
|
4.1
|
34.4
|
1.0
|
CG
|
A:GLU23
|
4.3
|
29.8
|
1.0
|
CG
|
A:GLU58
|
4.4
|
35.8
|
1.0
|
CD
|
A:GLN137
|
4.5
|
33.3
|
1.0
|
NE2
|
A:HIS61
|
4.6
|
43.3
|
1.0
|
CA
|
A:GLU58
|
4.7
|
33.9
|
1.0
|
CB
|
A:GLU58
|
4.8
|
33.8
|
1.0
|
CD2
|
A:HIS61
|
4.8
|
40.8
|
1.0
|
CD2
|
A:TYR133
|
4.9
|
24.2
|
1.0
|
|
Magnesium binding site 2 out
of 48 in 1mfr
Go back to
Magnesium Binding Sites List in 1mfr
Magnesium binding site 2 out
of 48 in the Crystal Structure of M Ferritin
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 M Ferritin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg177
b:51.0
occ:1.00
|
OD2
|
A:ASP140
|
2.5
|
37.2
|
1.0
|
OE2
|
A:GLU58
|
2.6
|
43.1
|
1.0
|
OE1
|
A:GLN137
|
2.7
|
38.5
|
1.0
|
OE1
|
A:GLU103
|
2.9
|
36.5
|
1.0
|
OE2
|
A:GLU103
|
3.2
|
35.1
|
1.0
|
CD
|
A:GLU103
|
3.4
|
32.4
|
1.0
|
CD
|
A:GLU58
|
3.5
|
38.9
|
1.0
|
CD
|
A:GLN137
|
3.6
|
33.3
|
1.0
|
CG
|
A:ASP140
|
3.6
|
33.3
|
1.0
|
OE1
|
A:GLU58
|
3.7
|
36.9
|
1.0
|
MG
|
A:MG176
|
4.0
|
51.0
|
1.0
|
NE2
|
A:GLN137
|
4.0
|
32.6
|
1.0
|
CB
|
A:ASP140
|
4.1
|
28.6
|
1.0
|
CE1
|
A:HIS61
|
4.3
|
42.9
|
1.0
|
OD1
|
A:ASP140
|
4.7
|
35.7
|
1.0
|
ND1
|
A:HIS61
|
4.7
|
42.3
|
1.0
|
CG
|
A:GLN137
|
4.7
|
31.0
|
1.0
|
O
|
A:GLU136
|
4.8
|
29.3
|
1.0
|
ND1
|
A:HIS54
|
4.8
|
46.6
|
1.0
|
CE1
|
A:HIS54
|
4.8
|
49.3
|
1.0
|
CG
|
A:GLU103
|
4.8
|
29.1
|
1.0
|
CG
|
A:GLU58
|
4.9
|
35.8
|
1.0
|
CA
|
A:GLN137
|
4.9
|
26.8
|
1.0
|
OE1
|
A:GLU57
|
4.9
|
75.9
|
1.0
|
|
Magnesium binding site 3 out
of 48 in 1mfr
Go back to
Magnesium Binding Sites List in 1mfr
Magnesium binding site 3 out
of 48 in the Crystal Structure of M Ferritin
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 M Ferritin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg176
b:51.0
occ:1.00
|
OE1
|
B:GLU58
|
2.0
|
36.9
|
1.0
|
OE1
|
B:GLU23
|
2.4
|
34.3
|
1.0
|
OE2
|
B:GLU23
|
2.5
|
36.8
|
1.0
|
ND1
|
B:HIS61
|
2.7
|
42.3
|
1.0
|
CD
|
B:GLU23
|
2.8
|
34.1
|
1.0
|
CD
|
B:GLU58
|
3.2
|
38.9
|
1.0
|
OE1
|
B:GLN137
|
3.4
|
38.5
|
1.0
|
CE1
|
B:HIS61
|
3.5
|
42.9
|
1.0
|
OE2
|
B:GLU58
|
3.7
|
43.1
|
1.0
|
CG
|
B:HIS61
|
3.7
|
39.6
|
1.0
|
CG1
|
B:VAL106
|
3.8
|
22.1
|
1.0
|
MG
|
B:MG177
|
4.0
|
51.0
|
1.0
|
CB
|
B:HIS61
|
4.1
|
34.4
|
1.0
|
CG
|
B:GLU23
|
4.3
|
29.8
|
1.0
|
CG
|
B:GLU58
|
4.4
|
35.8
|
1.0
|
CD
|
B:GLN137
|
4.5
|
33.3
|
1.0
|
NE2
|
B:HIS61
|
4.6
|
43.3
|
1.0
|
CA
|
B:GLU58
|
4.7
|
33.9
|
1.0
|
CB
|
B:GLU58
|
4.8
|
33.8
|
1.0
|
CD2
|
B:HIS61
|
4.8
|
40.8
|
1.0
|
CD2
|
B:TYR133
|
4.9
|
24.2
|
1.0
|
|
Magnesium binding site 4 out
of 48 in 1mfr
Go back to
Magnesium Binding Sites List in 1mfr
Magnesium binding site 4 out
of 48 in the Crystal Structure of M Ferritin
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 M Ferritin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg177
b:51.0
occ:1.00
|
OD2
|
B:ASP140
|
2.5
|
37.2
|
1.0
|
OE2
|
B:GLU58
|
2.6
|
43.1
|
1.0
|
OE1
|
B:GLN137
|
2.7
|
38.5
|
1.0
|
OE1
|
B:GLU103
|
2.9
|
36.5
|
1.0
|
OE2
|
B:GLU103
|
3.2
|
35.1
|
1.0
|
CD
|
B:GLU103
|
3.4
|
32.4
|
1.0
|
CD
|
B:GLU58
|
3.5
|
38.9
|
1.0
|
CD
|
B:GLN137
|
3.6
|
33.3
|
1.0
|
CG
|
B:ASP140
|
3.6
|
33.3
|
1.0
|
OE1
|
B:GLU58
|
3.7
|
36.9
|
1.0
|
MG
|
B:MG176
|
4.0
|
51.0
|
1.0
|
NE2
|
B:GLN137
|
4.0
|
32.6
|
1.0
|
CB
|
B:ASP140
|
4.1
|
28.6
|
1.0
|
CE1
|
B:HIS61
|
4.3
|
42.9
|
1.0
|
OD1
|
B:ASP140
|
4.7
|
35.7
|
1.0
|
ND1
|
B:HIS61
|
4.7
|
42.3
|
1.0
|
CG
|
B:GLN137
|
4.7
|
31.0
|
1.0
|
O
|
B:GLU136
|
4.8
|
29.3
|
1.0
|
ND1
|
B:HIS54
|
4.8
|
46.6
|
1.0
|
CE1
|
B:HIS54
|
4.8
|
49.3
|
1.0
|
CG
|
B:GLU103
|
4.8
|
29.1
|
1.0
|
CG
|
B:GLU58
|
4.9
|
35.8
|
1.0
|
CA
|
B:GLN137
|
4.9
|
26.8
|
1.0
|
OE1
|
B:GLU57
|
4.9
|
75.9
|
1.0
|
|
Magnesium binding site 5 out
of 48 in 1mfr
Go back to
Magnesium Binding Sites List in 1mfr
Magnesium binding site 5 out
of 48 in the Crystal Structure of M Ferritin
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 M Ferritin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg176
b:51.0
occ:1.00
|
OE1
|
C:GLU58
|
2.0
|
36.9
|
1.0
|
OE1
|
C:GLU23
|
2.4
|
34.3
|
1.0
|
OE2
|
C:GLU23
|
2.5
|
36.8
|
1.0
|
ND1
|
C:HIS61
|
2.7
|
42.3
|
1.0
|
CD
|
C:GLU23
|
2.8
|
34.1
|
1.0
|
CD
|
C:GLU58
|
3.2
|
38.9
|
1.0
|
OE1
|
C:GLN137
|
3.4
|
38.5
|
1.0
|
CE1
|
C:HIS61
|
3.5
|
42.9
|
1.0
|
OE2
|
C:GLU58
|
3.7
|
43.1
|
1.0
|
CG
|
C:HIS61
|
3.7
|
39.6
|
1.0
|
CG1
|
C:VAL106
|
3.8
|
22.1
|
1.0
|
MG
|
C:MG177
|
4.0
|
51.0
|
1.0
|
CB
|
C:HIS61
|
4.1
|
34.4
|
1.0
|
CG
|
C:GLU23
|
4.3
|
29.8
|
1.0
|
CG
|
C:GLU58
|
4.4
|
35.8
|
1.0
|
CD
|
C:GLN137
|
4.5
|
33.3
|
1.0
|
NE2
|
C:HIS61
|
4.6
|
43.3
|
1.0
|
CA
|
C:GLU58
|
4.7
|
33.9
|
1.0
|
CB
|
C:GLU58
|
4.8
|
33.8
|
1.0
|
CD2
|
C:HIS61
|
4.8
|
40.8
|
1.0
|
CD2
|
C:TYR133
|
4.9
|
24.2
|
1.0
|
OE1
|
C:GLU103
|
5.0
|
36.5
|
1.0
|
|
Magnesium binding site 6 out
of 48 in 1mfr
Go back to
Magnesium Binding Sites List in 1mfr
Magnesium binding site 6 out
of 48 in the Crystal Structure of M Ferritin
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 M Ferritin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg177
b:51.0
occ:1.00
|
OD2
|
C:ASP140
|
2.5
|
37.2
|
1.0
|
OE2
|
C:GLU58
|
2.6
|
43.1
|
1.0
|
OE1
|
C:GLN137
|
2.7
|
38.5
|
1.0
|
OE1
|
C:GLU103
|
2.9
|
36.5
|
1.0
|
OE2
|
C:GLU103
|
3.2
|
35.1
|
1.0
|
CD
|
C:GLU103
|
3.4
|
32.4
|
1.0
|
CD
|
C:GLU58
|
3.5
|
38.9
|
1.0
|
CD
|
C:GLN137
|
3.6
|
33.3
|
1.0
|
CG
|
C:ASP140
|
3.6
|
33.3
|
1.0
|
OE1
|
C:GLU58
|
3.7
|
36.9
|
1.0
|
MG
|
C:MG176
|
4.0
|
51.0
|
1.0
|
NE2
|
C:GLN137
|
4.0
|
32.6
|
1.0
|
CB
|
C:ASP140
|
4.1
|
28.6
|
1.0
|
CE1
|
C:HIS61
|
4.3
|
42.9
|
1.0
|
OD1
|
C:ASP140
|
4.7
|
35.7
|
1.0
|
ND1
|
C:HIS61
|
4.7
|
42.3
|
1.0
|
CG
|
C:GLN137
|
4.7
|
31.0
|
1.0
|
ND1
|
C:HIS54
|
4.8
|
46.6
|
1.0
|
O
|
C:GLU136
|
4.8
|
29.3
|
1.0
|
CE1
|
C:HIS54
|
4.8
|
49.3
|
1.0
|
CG
|
C:GLU103
|
4.8
|
29.1
|
1.0
|
CG
|
C:GLU58
|
4.9
|
35.8
|
1.0
|
CA
|
C:GLN137
|
4.9
|
26.8
|
1.0
|
OE1
|
C:GLU57
|
4.9
|
75.9
|
1.0
|
|
Magnesium binding site 7 out
of 48 in 1mfr
Go back to
Magnesium Binding Sites List in 1mfr
Magnesium binding site 7 out
of 48 in the Crystal Structure of M Ferritin
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 M Ferritin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg176
b:51.0
occ:1.00
|
OE1
|
D:GLU58
|
2.0
|
36.9
|
1.0
|
OE1
|
D:GLU23
|
2.4
|
34.3
|
1.0
|
OE2
|
D:GLU23
|
2.5
|
36.8
|
1.0
|
ND1
|
D:HIS61
|
2.7
|
42.3
|
1.0
|
CD
|
D:GLU23
|
2.8
|
34.1
|
1.0
|
CD
|
D:GLU58
|
3.2
|
38.9
|
1.0
|
OE1
|
D:GLN137
|
3.4
|
38.5
|
1.0
|
CE1
|
D:HIS61
|
3.5
|
42.9
|
1.0
|
OE2
|
D:GLU58
|
3.7
|
43.1
|
1.0
|
CG
|
D:HIS61
|
3.7
|
39.6
|
1.0
|
CG1
|
D:VAL106
|
3.8
|
22.1
|
1.0
|
MG
|
D:MG177
|
4.0
|
51.0
|
1.0
|
CB
|
D:HIS61
|
4.1
|
34.4
|
1.0
|
CG
|
D:GLU23
|
4.3
|
29.8
|
1.0
|
CG
|
D:GLU58
|
4.4
|
35.8
|
1.0
|
CD
|
D:GLN137
|
4.5
|
33.3
|
1.0
|
NE2
|
D:HIS61
|
4.6
|
43.3
|
1.0
|
CA
|
D:GLU58
|
4.7
|
33.9
|
1.0
|
CB
|
D:GLU58
|
4.8
|
33.8
|
1.0
|
CD2
|
D:HIS61
|
4.8
|
40.8
|
1.0
|
CD2
|
D:TYR133
|
4.9
|
24.2
|
1.0
|
|
Magnesium binding site 8 out
of 48 in 1mfr
Go back to
Magnesium Binding Sites List in 1mfr
Magnesium binding site 8 out
of 48 in the Crystal Structure of M Ferritin
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 M Ferritin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg177
b:51.0
occ:1.00
|
OD2
|
D:ASP140
|
2.5
|
37.2
|
1.0
|
OE2
|
D:GLU58
|
2.6
|
43.1
|
1.0
|
OE1
|
D:GLN137
|
2.7
|
38.5
|
1.0
|
OE1
|
D:GLU103
|
2.9
|
36.5
|
1.0
|
OE2
|
D:GLU103
|
3.2
|
35.1
|
1.0
|
CD
|
D:GLU103
|
3.4
|
32.4
|
1.0
|
CD
|
D:GLU58
|
3.5
|
38.9
|
1.0
|
CD
|
D:GLN137
|
3.6
|
33.3
|
1.0
|
CG
|
D:ASP140
|
3.6
|
33.3
|
1.0
|
OE1
|
D:GLU58
|
3.7
|
36.9
|
1.0
|
MG
|
D:MG176
|
4.0
|
51.0
|
1.0
|
NE2
|
D:GLN137
|
4.0
|
32.6
|
1.0
|
CB
|
D:ASP140
|
4.1
|
28.6
|
1.0
|
CE1
|
D:HIS61
|
4.3
|
42.9
|
1.0
|
OD1
|
D:ASP140
|
4.7
|
35.7
|
1.0
|
ND1
|
D:HIS61
|
4.7
|
42.3
|
1.0
|
CG
|
D:GLN137
|
4.7
|
31.0
|
1.0
|
O
|
D:GLU136
|
4.8
|
29.3
|
1.0
|
ND1
|
D:HIS54
|
4.8
|
46.6
|
1.0
|
CE1
|
D:HIS54
|
4.8
|
49.3
|
1.0
|
CG
|
D:GLU103
|
4.8
|
29.1
|
1.0
|
CG
|
D:GLU58
|
4.9
|
35.8
|
1.0
|
CA
|
D:GLN137
|
4.9
|
26.8
|
1.0
|
OE1
|
D:GLU57
|
4.9
|
75.9
|
1.0
|
|
Magnesium binding site 9 out
of 48 in 1mfr
Go back to
Magnesium Binding Sites List in 1mfr
Magnesium binding site 9 out
of 48 in the Crystal Structure of M Ferritin
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 M Ferritin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Mg176
b:51.0
occ:1.00
|
OE1
|
E:GLU58
|
2.0
|
36.9
|
1.0
|
OE1
|
E:GLU23
|
2.4
|
34.3
|
1.0
|
OE2
|
E:GLU23
|
2.5
|
36.8
|
1.0
|
ND1
|
E:HIS61
|
2.7
|
42.3
|
1.0
|
CD
|
E:GLU23
|
2.8
|
34.1
|
1.0
|
CD
|
E:GLU58
|
3.2
|
38.9
|
1.0
|
OE1
|
E:GLN137
|
3.4
|
38.5
|
1.0
|
CE1
|
E:HIS61
|
3.5
|
42.9
|
1.0
|
OE2
|
E:GLU58
|
3.7
|
43.1
|
1.0
|
CG
|
E:HIS61
|
3.7
|
39.6
|
1.0
|
CG1
|
E:VAL106
|
3.8
|
22.1
|
1.0
|
MG
|
E:MG177
|
4.0
|
51.0
|
1.0
|
CB
|
E:HIS61
|
4.1
|
34.4
|
1.0
|
CG
|
E:GLU23
|
4.3
|
29.8
|
1.0
|
CG
|
E:GLU58
|
4.4
|
35.8
|
1.0
|
CD
|
E:GLN137
|
4.5
|
33.3
|
1.0
|
NE2
|
E:HIS61
|
4.6
|
43.3
|
1.0
|
CA
|
E:GLU58
|
4.7
|
33.9
|
1.0
|
CB
|
E:GLU58
|
4.8
|
33.8
|
1.0
|
CD2
|
E:HIS61
|
4.8
|
40.8
|
1.0
|
CD2
|
E:TYR133
|
4.9
|
24.2
|
1.0
|
|
Magnesium binding site 10 out
of 48 in 1mfr
Go back to
Magnesium Binding Sites List in 1mfr
Magnesium binding site 10 out
of 48 in the Crystal Structure of M Ferritin
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 M Ferritin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Mg177
b:51.0
occ:1.00
|
OD2
|
E:ASP140
|
2.5
|
37.2
|
1.0
|
OE2
|
E:GLU58
|
2.6
|
43.1
|
1.0
|
OE1
|
E:GLN137
|
2.7
|
38.5
|
1.0
|
OE1
|
E:GLU103
|
2.9
|
36.5
|
1.0
|
OE2
|
E:GLU103
|
3.2
|
35.1
|
1.0
|
CD
|
E:GLU103
|
3.4
|
32.4
|
1.0
|
CD
|
E:GLU58
|
3.5
|
38.9
|
1.0
|
CD
|
E:GLN137
|
3.6
|
33.3
|
1.0
|
CG
|
E:ASP140
|
3.6
|
33.3
|
1.0
|
OE1
|
E:GLU58
|
3.7
|
36.9
|
1.0
|
MG
|
E:MG176
|
4.0
|
51.0
|
1.0
|
NE2
|
E:GLN137
|
4.0
|
32.6
|
1.0
|
CB
|
E:ASP140
|
4.1
|
28.6
|
1.0
|
CE1
|
E:HIS61
|
4.3
|
42.9
|
1.0
|
OD1
|
E:ASP140
|
4.7
|
35.7
|
1.0
|
ND1
|
E:HIS61
|
4.7
|
42.3
|
1.0
|
CG
|
E:GLN137
|
4.7
|
31.0
|
1.0
|
O
|
E:GLU136
|
4.8
|
29.3
|
1.0
|
ND1
|
E:HIS54
|
4.8
|
46.6
|
1.0
|
CE1
|
E:HIS54
|
4.8
|
49.3
|
1.0
|
CG
|
E:GLU103
|
4.8
|
29.1
|
1.0
|
CG
|
E:GLU58
|
4.9
|
35.8
|
1.0
|
CA
|
E:GLN137
|
4.9
|
26.8
|
1.0
|
OE1
|
E:GLU57
|
4.9
|
75.9
|
1.0
|
|
Reference:
Y.Ha,
D.Shi,
W.Small,
E.C.Theil,
N.M.Allewell.
Crystal Structure of Bullfrog M Ferritin at 2.8 A Resolution: Analysis of Subunit Interactions and the Binuclear Metal Center J.Biol.Inorg.Chem. V. 4 243 1999.
ISSN: ISSN 0949-8257
PubMed: 10439069
DOI: 10.1007/S007750050310
Page generated: Tue Aug 13 09:03:19 2024
|