Chlorine in PDB 5j8s: Iron-Free State of Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A
Enzymatic activity of Iron-Free State of Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A
All present enzymatic activity of Iron-Free State of Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A:
1.16.3.1;
Protein crystallography data
The structure of Iron-Free State of Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A, PDB code: 5j8s
was solved by
C.Pozzi,
F.Di Pisa,
S.Mangani,
C.Bernacchioni,
P.Turano,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
37.77 /
1.50
|
Space group
|
F 4 3 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
185.010,
185.010,
185.010,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
16 /
17.9
|
Other elements in 5j8s:
The structure of Iron-Free State of Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A also contains other interesting chemical elements:
Chlorine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
14;
Binding sites:
The binding sites of Chlorine atom in the Iron-Free State of Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A
(pdb code 5j8s). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 14 binding sites of Chlorine where determined in the
Iron-Free State of Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A, PDB code: 5j8s:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Chlorine binding site 1 out
of 14 in 5j8s
Go back to
Chlorine Binding Sites List in 5j8s
Chlorine binding site 1 out
of 14 in the Iron-Free State of Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Iron-Free State of Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl209
b:13.6
occ:0.25
|
NE2
|
A:HIS169
|
3.1
|
15.7
|
1.0
|
CE1
|
A:HIS169
|
3.8
|
17.7
|
1.0
|
CD2
|
A:LEU165
|
3.9
|
13.9
|
1.0
|
CD2
|
A:HIS169
|
4.2
|
15.7
|
1.0
|
|
Chlorine binding site 2 out
of 14 in 5j8s
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Chlorine Binding Sites List in 5j8s
Chlorine binding site 2 out
of 14 in the Iron-Free State of Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Iron-Free State of Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl210
b:23.0
occ:0.70
|
O
|
A:HOH315
|
2.8
|
34.1
|
1.0
|
N
|
A:ASP87
|
3.1
|
13.1
|
1.0
|
O
|
A:HOH640
|
3.1
|
31.5
|
1.0
|
N
|
A:GLU88
|
3.7
|
13.1
|
1.0
|
CA
|
A:ARG86
|
3.7
|
13.1
|
1.0
|
CB
|
A:ARG86
|
3.9
|
13.2
|
1.0
|
C
|
A:ARG86
|
3.9
|
12.8
|
1.0
|
CA
|
A:ASP87
|
3.9
|
14.0
|
1.0
|
CB
|
A:ASP87
|
4.0
|
14.5
|
1.0
|
O
|
A:HOH404
|
4.0
|
45.5
|
1.0
|
O
|
A:GLU88
|
4.1
|
13.2
|
1.0
|
CG
|
A:GLU88
|
4.2
|
16.4
|
1.0
|
CG
|
A:ARG86
|
4.3
|
13.1
|
1.0
|
C
|
A:ASP87
|
4.3
|
14.1
|
1.0
|
O
|
A:HOH482
|
4.4
|
32.6
|
1.0
|
OD2
|
A:ASP87
|
4.5
|
18.3
|
1.0
|
CG
|
A:ASP87
|
4.6
|
15.0
|
1.0
|
OE2
|
A:GLU88
|
4.6
|
22.6
|
1.0
|
CA
|
A:GLU88
|
4.7
|
13.3
|
1.0
|
NE
|
A:ARG86
|
4.7
|
15.7
|
1.0
|
O
|
A:HOH585
|
4.8
|
31.0
|
1.0
|
CB
|
A:GLU88
|
4.9
|
14.4
|
1.0
|
C
|
A:GLU88
|
4.9
|
13.2
|
1.0
|
CD
|
A:GLU88
|
4.9
|
18.5
|
1.0
|
|
Chlorine binding site 3 out
of 14 in 5j8s
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Chlorine Binding Sites List in 5j8s
Chlorine binding site 3 out
of 14 in the Iron-Free State of Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Iron-Free State of Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl211
b:20.7
occ:0.70
|
O
|
A:HOH598
|
2.8
|
29.9
|
1.0
|
OG1
|
A:THR105
|
3.1
|
13.2
|
1.0
|
O
|
A:HOH401
|
3.1
|
16.4
|
1.0
|
NE2
|
A:GLN101
|
3.5
|
22.4
|
0.6
|
CG
|
A:GLN101
|
3.6
|
17.7
|
0.6
|
CA
|
A:LEU102
|
3.6
|
12.8
|
1.0
|
O
|
A:GLN101
|
3.6
|
12.8
|
1.0
|
C
|
A:GLN101
|
3.7
|
12.9
|
1.0
|
N
|
A:LEU102
|
3.7
|
12.3
|
1.0
|
CB
|
A:THR105
|
3.8
|
12.2
|
1.0
|
O
|
A:HOH344
|
3.9
|
24.5
|
1.0
|
CD
|
A:GLN101
|
4.1
|
20.3
|
0.6
|
CB
|
A:GLN101
|
4.2
|
14.8
|
0.6
|
CB
|
A:LEU102
|
4.3
|
13.9
|
1.0
|
CG2
|
A:THR105
|
4.4
|
12.9
|
1.0
|
CB
|
A:GLN101
|
4.4
|
12.6
|
0.4
|
CD1
|
A:LEU102
|
4.4
|
16.4
|
1.0
|
CA
|
A:GLN101
|
4.6
|
13.4
|
0.6
|
CA
|
A:GLN101
|
4.7
|
12.6
|
0.4
|
O
|
A:HOH639
|
4.7
|
19.8
|
1.0
|
O
|
A:HOH352
|
4.7
|
42.4
|
1.0
|
O
|
A:HOH459
|
4.8
|
24.3
|
1.0
|
C
|
A:LEU102
|
4.8
|
12.5
|
1.0
|
O
|
A:HOH557
|
4.9
|
51.2
|
1.0
|
O
|
A:HOH504
|
4.9
|
22.8
|
1.0
|
O
|
A:LEU102
|
5.0
|
11.7
|
1.0
|
CG
|
A:LEU102
|
5.0
|
14.7
|
1.0
|
|
Chlorine binding site 4 out
of 14 in 5j8s
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Chlorine Binding Sites List in 5j8s
Chlorine binding site 4 out
of 14 in the Iron-Free State of Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Iron-Free State of Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl212
b:16.2
occ:0.70
|
O
|
A:HOH529
|
3.0
|
18.1
|
1.0
|
O
|
A:HOH501
|
3.1
|
29.4
|
1.0
|
O
|
A:HOH655
|
3.1
|
35.0
|
1.0
|
O
|
A:HOH420
|
3.3
|
35.3
|
1.0
|
ND2
|
A:ASN17
|
3.3
|
11.4
|
1.0
|
CB
|
A:ASN17
|
3.7
|
10.5
|
1.0
|
CA
|
A:ALA14
|
4.0
|
11.1
|
1.0
|
CG
|
A:ASN17
|
4.0
|
11.0
|
1.0
|
O
|
A:HOH656
|
4.0
|
42.0
|
1.0
|
CB
|
A:VAL77
|
4.0
|
12.6
|
1.0
|
CB
|
A:ALA14
|
4.2
|
11.4
|
1.0
|
O
|
A:ALA14
|
4.3
|
11.2
|
1.0
|
CG2
|
A:VAL77
|
4.4
|
13.3
|
1.0
|
CG1
|
A:VAL77
|
4.4
|
13.7
|
1.0
|
C
|
A:ALA14
|
4.6
|
11.2
|
1.0
|
O
|
A:HOH363
|
4.7
|
15.6
|
1.0
|
|
Chlorine binding site 5 out
of 14 in 5j8s
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Chlorine Binding Sites List in 5j8s
Chlorine binding site 5 out
of 14 in the Iron-Free State of Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of Iron-Free State of Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl213
b:19.3
occ:1.00
|
O
|
A:HOH568
|
3.1
|
43.4
|
1.0
|
O
|
A:HOH517
|
3.2
|
32.3
|
1.0
|
O
|
A:HOH496
|
3.2
|
47.0
|
1.0
|
N
|
A:TYR8
|
3.3
|
11.3
|
1.0
|
N
|
A:ASN7
|
3.4
|
11.4
|
1.0
|
O
|
A:TYR8
|
3.5
|
13.1
|
1.0
|
CD
|
A:ARG5
|
3.5
|
12.1
|
1.0
|
CG
|
A:ARG5
|
3.6
|
11.9
|
1.0
|
NE
|
A:ARG5
|
3.6
|
12.4
|
1.0
|
O
|
A:HOH485
|
3.8
|
21.5
|
1.0
|
C
|
A:GLN6
|
3.9
|
11.7
|
1.0
|
CA
|
A:GLN6
|
4.0
|
11.8
|
1.0
|
CA
|
A:ASN7
|
4.0
|
11.4
|
1.0
|
C
|
A:TYR8
|
4.1
|
11.8
|
1.0
|
N
|
A:GLN6
|
4.1
|
11.3
|
1.0
|
CA
|
A:TYR8
|
4.1
|
11.7
|
1.0
|
C
|
A:ASN7
|
4.1
|
11.5
|
1.0
|
C
|
A:ARG5
|
4.3
|
12.0
|
1.0
|
CB
|
A:TYR8
|
4.4
|
11.6
|
1.0
|
O
|
A:ARG5
|
4.5
|
12.8
|
1.0
|
O
|
A:HOH632
|
4.5
|
28.6
|
1.0
|
CB
|
A:ARG5
|
4.5
|
11.7
|
1.0
|
O
|
A:GLN6
|
4.8
|
11.8
|
1.0
|
CZ
|
A:ARG5
|
4.9
|
12.5
|
1.0
|
|
Chlorine binding site 6 out
of 14 in 5j8s
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Chlorine Binding Sites List in 5j8s
Chlorine binding site 6 out
of 14 in the Iron-Free State of Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 6 of Iron-Free State of Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl214
b:16.1
occ:0.20
|
CE1
|
A:HIS169
|
3.7
|
17.7
|
1.0
|
ND1
|
A:HIS169
|
4.5
|
17.9
|
1.0
|
NE2
|
A:HIS169
|
4.6
|
15.7
|
1.0
|
O
|
A:HOH417
|
5.0
|
30.0
|
1.0
|
|
Chlorine binding site 7 out
of 14 in 5j8s
Go back to
Chlorine Binding Sites List in 5j8s
Chlorine binding site 7 out
of 14 in the Iron-Free State of Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 7 of Iron-Free State of Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl215
b:22.6
occ:0.60
|
O
|
A:HOH580
|
2.9
|
41.0
|
1.0
|
O
|
A:HOH555
|
3.0
|
43.8
|
1.0
|
O
|
A:HOH596
|
3.0
|
31.9
|
1.0
|
N
|
A:SER10
|
3.0
|
13.0
|
1.0
|
CB
|
A:SER10
|
3.6
|
13.9
|
1.0
|
CA
|
A:HIS9
|
3.8
|
12.9
|
1.0
|
CD2
|
A:HIS9
|
3.8
|
14.4
|
1.0
|
CG
|
A:HIS9
|
3.8
|
14.0
|
1.0
|
C
|
A:HIS9
|
3.9
|
13.3
|
1.0
|
O
|
A:HOH517
|
3.9
|
32.3
|
1.0
|
ND1
|
A:HIS9
|
3.9
|
14.4
|
1.0
|
CA
|
A:SER10
|
3.9
|
12.7
|
1.0
|
NE2
|
A:HIS9
|
3.9
|
15.3
|
1.0
|
CE1
|
A:HIS9
|
3.9
|
15.1
|
1.0
|
CB
|
A:HIS9
|
4.4
|
12.9
|
1.0
|
O
|
A:TYR8
|
4.4
|
13.1
|
1.0
|
O
|
A:HOH568
|
4.5
|
43.4
|
1.0
|
N
|
A:HIS9
|
4.9
|
12.4
|
1.0
|
O
|
A:HOH534
|
4.9
|
42.5
|
1.0
|
OG
|
A:SER10
|
4.9
|
14.5
|
0.8
|
O
|
A:HOH556
|
4.9
|
35.4
|
1.0
|
O
|
A:HOH565
|
5.0
|
43.1
|
1.0
|
|
Chlorine binding site 8 out
of 14 in 5j8s
Go back to
Chlorine Binding Sites List in 5j8s
Chlorine binding site 8 out
of 14 in the Iron-Free State of Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 8 of Iron-Free State of Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl216
b:18.8
occ:0.70
|
O
|
A:HOH320
|
3.0
|
21.9
|
1.0
|
NE2
|
A:GLN108
|
3.2
|
15.2
|
1.0
|
NZ
|
A:LYS115
|
3.2
|
13.1
|
0.2
|
O
|
A:HOH511
|
3.2
|
53.9
|
1.0
|
CE
|
A:LYS115
|
3.6
|
13.3
|
0.2
|
NZ
|
A:LYS115
|
3.9
|
23.1
|
0.5
|
CD
|
A:GLN108
|
4.1
|
14.4
|
1.0
|
OE1
|
A:GLN108
|
4.1
|
16.2
|
1.0
|
O
|
A:HOH573
|
4.1
|
34.7
|
1.0
|
CD1
|
A:LEU111
|
4.3
|
12.9
|
1.0
|
CB
|
A:LEU111
|
4.3
|
12.0
|
1.0
|
OD1
|
A:ASP112
|
4.7
|
14.8
|
1.0
|
CE
|
A:LYS115
|
4.8
|
20.9
|
0.5
|
CG
|
A:LEU111
|
4.8
|
12.3
|
1.0
|
|
Chlorine binding site 9 out
of 14 in 5j8s
Go back to
Chlorine Binding Sites List in 5j8s
Chlorine binding site 9 out
of 14 in the Iron-Free State of Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 9 of Iron-Free State of Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl217
b:23.6
occ:0.70
|
O
|
A:HOH582
|
2.9
|
40.7
|
1.0
|
O
|
A:HOH430
|
3.2
|
21.9
|
0.8
|
N
|
A:ALA136
|
3.2
|
14.8
|
1.0
|
C
|
A:GLU132
|
3.3
|
14.2
|
1.0
|
N
|
A:TYR133
|
3.4
|
12.5
|
1.0
|
N
|
A:GLU135
|
3.4
|
12.8
|
1.0
|
O
|
A:SER131
|
3.4
|
15.9
|
1.0
|
CB
|
A:GLU135
|
3.6
|
14.6
|
1.0
|
O
|
A:GLU132
|
3.6
|
15.4
|
1.0
|
C
|
A:SER131
|
3.7
|
14.4
|
1.0
|
C
|
A:TYR133
|
3.7
|
12.8
|
1.0
|
CA
|
A:GLU135
|
3.8
|
14.2
|
1.0
|
CA
|
A:GLU132
|
3.8
|
14.4
|
1.0
|
N
|
A:LEU134
|
3.8
|
12.4
|
1.0
|
N
|
A:GLU132
|
3.8
|
14.5
|
1.0
|
CA
|
A:TYR133
|
3.8
|
12.5
|
1.0
|
O
|
A:GLU130
|
3.9
|
15.1
|
1.0
|
C
|
A:GLU135
|
3.9
|
14.1
|
1.0
|
O
|
A:HOH440
|
4.0
|
37.2
|
1.0
|
CB
|
A:ALA136
|
4.1
|
16.1
|
1.0
|
O
|
A:TYR133
|
4.2
|
13.0
|
1.0
|
CA
|
A:ALA136
|
4.2
|
14.4
|
1.0
|
C
|
A:LEU134
|
4.4
|
12.4
|
1.0
|
CG
|
A:GLU135
|
4.4
|
15.6
|
1.0
|
O
|
A:HOH410
|
4.5
|
31.3
|
1.0
|
CA
|
A:SER131
|
4.6
|
14.2
|
0.5
|
CA
|
A:SER131
|
4.6
|
14.2
|
0.5
|
CA
|
A:LEU134
|
4.7
|
12.5
|
1.0
|
C
|
A:GLU130
|
4.7
|
14.1
|
1.0
|
O
|
A:HOH636
|
4.8
|
27.3
|
0.8
|
O
|
A:HOH439
|
4.8
|
38.8
|
1.0
|
O
|
A:LEU129
|
4.9
|
11.9
|
1.0
|
O
|
A:HOH483
|
5.0
|
20.4
|
0.8
|
|
Chlorine binding site 10 out
of 14 in 5j8s
Go back to
Chlorine Binding Sites List in 5j8s
Chlorine binding site 10 out
of 14 in the Iron-Free State of Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 10 of Iron-Free State of Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl218
b:50.8
occ:1.00
|
O
|
A:HOH576
|
3.1
|
41.4
|
1.0
|
O
|
A:HOH435
|
3.2
|
23.7
|
1.0
|
CD
|
A:LYS64
|
3.6
|
19.4
|
0.5
|
O
|
A:HOH507
|
3.7
|
33.6
|
1.0
|
CE1
|
A:PHE128
|
3.7
|
12.4
|
1.0
|
O
|
A:HOH462
|
3.9
|
18.0
|
1.0
|
CD
|
A:GLU132
|
3.9
|
19.4
|
1.0
|
CG
|
A:GLU132
|
3.9
|
17.2
|
1.0
|
CD
|
A:LYS64
|
4.0
|
12.3
|
0.5
|
CG
|
A:LYS64
|
4.0
|
17.0
|
0.5
|
OE2
|
A:GLU132
|
4.2
|
22.9
|
1.0
|
CE
|
A:LYS64
|
4.2
|
13.1
|
0.5
|
CD1
|
A:PHE128
|
4.2
|
11.9
|
1.0
|
CG
|
A:LYS64
|
4.2
|
12.3
|
0.5
|
OE1
|
A:GLU132
|
4.2
|
19.6
|
1.0
|
O
|
A:HOH308
|
4.6
|
45.9
|
1.0
|
CE
|
A:LYS64
|
4.7
|
19.4
|
0.5
|
CZ
|
A:PHE128
|
4.9
|
12.5
|
1.0
|
NZ
|
A:LYS64
|
4.9
|
14.3
|
0.5
|
|
Reference:
C.Bernacchioni,
C.Pozzi,
F.Di Pisa,
S.Mangani,
P.Turano.
Ferroxidase Activity in Eukaryotic Ferritin Is Controlled By Accessory-Iron-Binding Sites in the Catalytic Cavity. Chemistry V. 22 16213 2016.
ISSN: ISSN 0947-6539
PubMed: 27650996
DOI: 10.1002/CHEM.201602842
Page generated: Fri Jul 26 09:49:45 2024
|