Chlorine in PDB 3ka3: Frog M-Ferritin with Magnesium
Enzymatic activity of Frog M-Ferritin with Magnesium
All present enzymatic activity of Frog M-Ferritin with Magnesium:
1.16.3.1;
Protein crystallography data
The structure of Frog M-Ferritin with Magnesium, PDB code: 3ka3
was solved by
T.Tosha,
H.L.Ng,
E.Theil,
T.Alber,
O.Bhattasali,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
50.00 /
1.40
|
Space group
|
F 4 3 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
183.886,
183.886,
183.886,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
13.6 /
15.9
|
Other elements in 3ka3:
The structure of Frog M-Ferritin with Magnesium also contains other interesting chemical elements:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Frog M-Ferritin with Magnesium
(pdb code 3ka3). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the
Frog M-Ferritin with Magnesium, PDB code: 3ka3:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
7;
Chlorine binding site 1 out
of 7 in 3ka3
Go back to
Chlorine Binding Sites List in 3ka3
Chlorine binding site 1 out
of 7 in the Frog M-Ferritin with Magnesium
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Frog M-Ferritin with Magnesium within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl181
b:29.4
occ:1.00
|
N
|
A:SER10
|
3.1
|
11.5
|
1.0
|
O
|
A:HOH230
|
3.2
|
39.4
|
1.0
|
O
|
A:HOH276
|
3.3
|
43.2
|
1.0
|
O
|
A:HOH484
|
3.6
|
30.8
|
1.0
|
CB
|
A:SER10
|
3.7
|
14.3
|
1.0
|
CA
|
A:HIS9
|
3.8
|
11.4
|
1.0
|
CG
|
A:HIS9
|
3.8
|
11.4
|
1.0
|
CD2
|
A:HIS9
|
3.9
|
15.1
|
1.0
|
C
|
A:HIS9
|
3.9
|
11.0
|
1.0
|
ND1
|
A:HIS9
|
4.0
|
12.4
|
1.0
|
CA
|
A:SER10
|
4.0
|
11.6
|
1.0
|
CE1
|
A:HIS9
|
4.0
|
14.7
|
1.0
|
NE2
|
A:HIS9
|
4.0
|
16.4
|
1.0
|
O
|
A:TYR8
|
4.3
|
11.9
|
1.0
|
CB
|
A:HIS9
|
4.4
|
12.6
|
1.0
|
N
|
A:HIS9
|
4.8
|
11.3
|
1.0
|
O
|
A:HOH452
|
4.9
|
34.9
|
1.0
|
NH1
|
A:ARG5
|
5.0
|
13.3
|
1.0
|
O
|
A:HOH247
|
5.0
|
35.9
|
1.0
|
|
Chlorine binding site 2 out
of 7 in 3ka3
Go back to
Chlorine Binding Sites List in 3ka3
Chlorine binding site 2 out
of 7 in the Frog M-Ferritin with Magnesium
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Frog M-Ferritin with Magnesium within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl182
b:18.9
occ:1.00
|
O
|
A:HOH241
|
2.6
|
37.6
|
1.0
|
O
|
A:HOH484
|
3.2
|
30.8
|
1.0
|
N
|
A:TYR8
|
3.3
|
10.9
|
1.0
|
N
|
A:ASN7
|
3.5
|
11.2
|
1.0
|
O
|
A:TYR8
|
3.5
|
11.9
|
1.0
|
CD
|
A:ARG5
|
3.5
|
11.9
|
1.0
|
NE
|
A:ARG5
|
3.6
|
12.7
|
1.0
|
CG
|
A:ARG5
|
3.6
|
11.9
|
1.0
|
O
|
A:HOH382
|
3.8
|
22.5
|
1.0
|
C
|
A:GLN6
|
3.9
|
10.4
|
1.0
|
CA
|
A:GLN6
|
4.0
|
10.4
|
1.0
|
C
|
A:TYR8
|
4.0
|
10.5
|
1.0
|
CA
|
A:TYR8
|
4.1
|
10.7
|
1.0
|
N
|
A:GLN6
|
4.1
|
11.0
|
1.0
|
CA
|
A:ASN7
|
4.1
|
10.9
|
1.0
|
C
|
A:ASN7
|
4.2
|
10.3
|
1.0
|
O
|
A:HOH205
|
4.3
|
40.2
|
1.0
|
C
|
A:ARG5
|
4.4
|
11.2
|
1.0
|
CB
|
A:TYR8
|
4.4
|
11.0
|
1.0
|
CB
|
A:ARG5
|
4.5
|
10.8
|
1.0
|
O
|
A:ARG5
|
4.6
|
11.9
|
1.0
|
O
|
A:GLN6
|
4.8
|
11.1
|
1.0
|
CZ
|
A:ARG5
|
4.8
|
12.9
|
1.0
|
|
Chlorine binding site 3 out
of 7 in 3ka3
Go back to
Chlorine Binding Sites List in 3ka3
Chlorine binding site 3 out
of 7 in the Frog M-Ferritin with Magnesium
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Frog M-Ferritin with Magnesium within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl184
b:25.4
occ:1.00
|
O
|
A:HOH281
|
2.7
|
36.9
|
1.0
|
N
|
A:ASP87
|
3.1
|
12.5
|
1.0
|
N
|
A:GLU88
|
3.7
|
12.5
|
1.0
|
CA
|
A:ARG86
|
3.8
|
13.5
|
1.0
|
CB
|
A:ARG86
|
3.8
|
13.5
|
1.0
|
C
|
A:ARG86
|
3.9
|
11.7
|
1.0
|
CA
|
A:ASP87
|
3.9
|
13.6
|
1.0
|
CB
|
A:ASP87
|
4.0
|
15.0
|
1.0
|
O
|
A:GLU88
|
4.1
|
14.6
|
1.0
|
CG
|
A:GLU88
|
4.1
|
12.7
|
0.5
|
CG
|
A:ARG86
|
4.3
|
16.4
|
1.0
|
C
|
A:ASP87
|
4.3
|
13.2
|
1.0
|
CB
|
A:GLU88
|
4.4
|
15.3
|
0.5
|
CA
|
A:GLU88
|
4.5
|
13.3
|
0.5
|
CA
|
A:GLU88
|
4.6
|
12.1
|
0.5
|
CG
|
A:ASP87
|
4.6
|
15.6
|
1.0
|
NE
|
A:ARG86
|
4.7
|
20.1
|
1.0
|
OD2
|
A:ASP87
|
4.7
|
23.2
|
1.0
|
OE2
|
A:GLU88
|
4.7
|
20.8
|
0.5
|
O
|
A:HOH295
|
4.7
|
40.1
|
1.0
|
O
|
A:HOH306
|
4.7
|
42.0
|
1.0
|
C
|
A:GLU88
|
4.8
|
12.8
|
1.0
|
CB
|
A:GLU88
|
4.8
|
12.6
|
0.5
|
|
Chlorine binding site 4 out
of 7 in 3ka3
Go back to
Chlorine Binding Sites List in 3ka3
Chlorine binding site 4 out
of 7 in the Frog M-Ferritin with Magnesium
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Frog M-Ferritin with Magnesium within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl187
b:24.1
occ:1.00
|
O
|
A:HOH458
|
3.0
|
32.2
|
1.0
|
O
|
A:HOH426
|
3.2
|
24.2
|
1.0
|
N
|
A:GLU136
|
3.2
|
16.4
|
1.0
|
N
|
A:TYR133
|
3.4
|
13.5
|
1.0
|
N
|
A:GLU135
|
3.4
|
14.7
|
1.0
|
C
|
A:GLU132
|
3.4
|
14.4
|
1.0
|
O
|
A:SER131
|
3.5
|
18.5
|
1.0
|
CB
|
A:GLU135
|
3.6
|
17.8
|
1.0
|
C
|
A:TYR133
|
3.7
|
13.1
|
1.0
|
C
|
A:SER131
|
3.8
|
16.4
|
1.0
|
CA
|
A:GLU135
|
3.8
|
16.1
|
1.0
|
O
|
A:GLU132
|
3.8
|
16.7
|
1.0
|
CA
|
A:TYR133
|
3.8
|
14.4
|
1.0
|
N
|
A:GLU132
|
3.9
|
15.1
|
1.0
|
N
|
A:LEU134
|
3.9
|
13.8
|
1.0
|
CA
|
A:GLU132
|
3.9
|
14.1
|
1.0
|
C
|
A:GLU135
|
3.9
|
16.0
|
1.0
|
O
|
A:GLU130
|
3.9
|
19.8
|
1.0
|
CB
|
A:GLU136
|
4.0
|
21.2
|
0.5
|
CB
|
A:GLU136
|
4.0
|
18.6
|
0.5
|
CG
|
A:GLU136
|
4.0
|
16.3
|
0.5
|
O
|
A:TYR133
|
4.1
|
14.6
|
1.0
|
CA
|
A:GLU136
|
4.1
|
16.9
|
0.5
|
CA
|
A:GLU136
|
4.2
|
15.3
|
0.5
|
CG
|
A:GLU136
|
4.2
|
24.9
|
0.5
|
C
|
A:LEU134
|
4.4
|
13.6
|
1.0
|
CG
|
A:GLU135
|
4.5
|
18.3
|
1.0
|
O
|
A:HOH471
|
4.6
|
28.2
|
1.0
|
CA
|
A:SER131
|
4.7
|
16.9
|
0.5
|
CA
|
A:SER131
|
4.7
|
15.8
|
0.5
|
CA
|
A:LEU134
|
4.7
|
13.5
|
1.0
|
C
|
A:GLU130
|
4.8
|
16.6
|
1.0
|
O
|
A:HOH238
|
4.8
|
42.3
|
1.0
|
O
|
A:HOH415
|
4.9
|
24.6
|
1.0
|
|
Chlorine binding site 5 out
of 7 in 3ka3
Go back to
Chlorine Binding Sites List in 3ka3
Chlorine binding site 5 out
of 7 in the Frog M-Ferritin with Magnesium
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of Frog M-Ferritin with Magnesium within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl188
b:12.0
occ:0.25
|
NE2
|
A:HIS169
|
3.2
|
12.7
|
1.0
|
CD2
|
A:LEU165
|
3.9
|
14.3
|
1.0
|
CE1
|
A:HIS169
|
3.9
|
15.0
|
1.0
|
CD2
|
A:HIS169
|
4.3
|
11.6
|
1.0
|
CL
|
A:CL189
|
4.9
|
18.9
|
0.2
|
|
Chlorine binding site 6 out
of 7 in 3ka3
Go back to
Chlorine Binding Sites List in 3ka3
Chlorine binding site 6 out
of 7 in the Frog M-Ferritin with Magnesium
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 6 of Frog M-Ferritin with Magnesium within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl189
b:18.9
occ:0.25
|
CE1
|
A:HIS169
|
3.7
|
15.0
|
1.0
|
NE2
|
A:HIS169
|
4.5
|
12.7
|
1.0
|
ND1
|
A:HIS169
|
4.6
|
15.9
|
1.0
|
CL
|
A:CL188
|
4.9
|
12.0
|
0.2
|
|
Chlorine binding site 7 out
of 7 in 3ka3
Go back to
Chlorine Binding Sites List in 3ka3
Chlorine binding site 7 out
of 7 in the Frog M-Ferritin with Magnesium
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 7 of Frog M-Ferritin with Magnesium within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl191
b:38.9
occ:1.00
|
O
|
A:HOH266
|
2.6
|
34.5
|
1.0
|
NH2
|
A:ARG5
|
3.0
|
13.2
|
1.0
|
N
|
A:SER2
|
3.0
|
14.2
|
1.0
|
CB
|
A:VAL1
|
3.2
|
26.1
|
1.0
|
O
|
A:GLY73
|
3.3
|
13.1
|
1.0
|
CA
|
A:VAL1
|
3.5
|
24.0
|
1.0
|
CD
|
A:ARG5
|
3.5
|
11.9
|
1.0
|
CB
|
A:SER2
|
3.6
|
12.3
|
1.0
|
CG1
|
A:VAL1
|
3.7
|
31.8
|
1.0
|
C
|
A:VAL1
|
3.8
|
18.8
|
1.0
|
CA
|
A:SER2
|
3.9
|
12.4
|
1.0
|
CZ
|
A:ARG5
|
4.0
|
12.9
|
1.0
|
NE
|
A:ARG5
|
4.1
|
12.7
|
1.0
|
O
|
A:HOH372
|
4.2
|
22.3
|
1.0
|
CG
|
A:ARG5
|
4.2
|
11.9
|
1.0
|
CB
|
A:ARG5
|
4.3
|
10.8
|
1.0
|
C
|
A:GLY73
|
4.3
|
10.8
|
1.0
|
CG2
|
A:VAL1
|
4.4
|
23.6
|
1.0
|
O
|
A:HOH452
|
4.8
|
34.9
|
1.0
|
O
|
A:HOH371
|
4.8
|
31.6
|
1.0
|
N
|
A:VAL1
|
4.8
|
26.9
|
1.0
|
O
|
A:SER2
|
4.8
|
11.9
|
1.0
|
OG
|
A:SER2
|
4.9
|
13.4
|
1.0
|
C
|
A:SER2
|
4.9
|
12.4
|
1.0
|
O
|
A:VAL1
|
5.0
|
21.2
|
1.0
|
O
|
A:HOH222
|
5.0
|
36.0
|
1.0
|
|
Reference:
T.Tosha,
H.L.Ng,
O.Bhattasali,
T.Alber,
E.C.Theil.
Moving Metal Ions Through Ferritin-Protein Nanocages From Three-Fold Pores to Catalytic Sites. J.Am.Chem.Soc. V. 132 14562 2010.
ISSN: ISSN 0002-7863
PubMed: 20866049
DOI: 10.1021/JA105583D
Page generated: Sat Jul 20 22:30:42 2024
|