Manganese in PDB 6qil: The Complex Structure of Hsrosr-S1 (VNG0258H/Rosr-S1)
Protein crystallography data
The structure of The Complex Structure of Hsrosr-S1 (VNG0258H/Rosr-S1), PDB code: 6qil
was solved by
B.Shaanan,
N.Kutnowski,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
44.55 /
2.00
|
Space group
|
P 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
46.824,
84.304,
89.372,
96.24,
93.75,
106.98
|
R / Rfree (%)
|
20.8 /
23.5
|
Manganese Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
11;
Binding sites:
The binding sites of Manganese atom in the The Complex Structure of Hsrosr-S1 (VNG0258H/Rosr-S1)
(pdb code 6qil). This binding sites where shown within
5.0 Angstroms radius around Manganese atom.
In total 11 binding sites of Manganese where determined in the
The Complex Structure of Hsrosr-S1 (VNG0258H/Rosr-S1), PDB code: 6qil:
Jump to Manganese binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Manganese binding site 1 out
of 11 in 6qil
Go back to
Manganese Binding Sites List in 6qil
Manganese binding site 1 out
of 11 in the The Complex Structure of Hsrosr-S1 (VNG0258H/Rosr-S1)
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 1 of The Complex Structure of Hsrosr-S1 (VNG0258H/Rosr-S1) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn201
b:60.2
occ:0.69
|
HE3
|
A:LYS37
|
2.5
|
58.2
|
1.0
|
H
|
A:HIS50
|
2.6
|
52.5
|
1.0
|
HB3
|
A:HIS50
|
3.0
|
54.9
|
1.0
|
ND1
|
A:HIS50
|
3.1
|
49.7
|
1.0
|
CE
|
A:LYS37
|
3.5
|
47.9
|
1.0
|
N
|
A:HIS50
|
3.5
|
43.2
|
1.0
|
HA
|
A:ASN49
|
3.5
|
52.0
|
1.0
|
CB
|
A:HIS50
|
3.7
|
45.2
|
1.0
|
HZ1
|
A:LYS37
|
3.8
|
61.3
|
1.0
|
HE2
|
A:LYS37
|
3.8
|
58.2
|
1.0
|
CG
|
A:HIS50
|
3.8
|
48.3
|
1.0
|
NZ
|
A:LYS37
|
4.0
|
50.5
|
1.0
|
O
|
A:VAL48
|
4.1
|
44.6
|
1.0
|
CE1
|
A:HIS50
|
4.1
|
51.3
|
1.0
|
OE1
|
A:GLU47
|
4.2
|
68.3
|
1.0
|
HZ2
|
A:LYS37
|
4.2
|
61.3
|
1.0
|
CA
|
A:HIS50
|
4.2
|
42.9
|
1.0
|
HD2
|
A:LYS37
|
4.2
|
55.8
|
1.0
|
HE1
|
A:HIS50
|
4.3
|
62.3
|
1.0
|
CA
|
A:ASN49
|
4.4
|
42.8
|
1.0
|
C
|
A:ASN49
|
4.4
|
41.9
|
1.0
|
CD
|
A:LYS37
|
4.4
|
46.0
|
1.0
|
HB2
|
A:HIS50
|
4.5
|
54.9
|
1.0
|
HA
|
A:HIS50
|
4.8
|
52.2
|
1.0
|
CD
|
A:GLU47
|
4.8
|
68.0
|
1.0
|
HD3
|
A:LYS37
|
4.8
|
55.8
|
1.0
|
H
|
A:GLY51
|
4.8
|
54.2
|
1.0
|
OD1
|
A:ASN49
|
4.9
|
45.2
|
1.0
|
O3
|
F:SO4101
|
4.9
|
65.9
|
0.7
|
HZ3
|
A:LYS37
|
4.9
|
61.3
|
1.0
|
|
Manganese binding site 2 out
of 11 in 6qil
Go back to
Manganese Binding Sites List in 6qil
Manganese binding site 2 out
of 11 in the The Complex Structure of Hsrosr-S1 (VNG0258H/Rosr-S1)
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 2 of The Complex Structure of Hsrosr-S1 (VNG0258H/Rosr-S1) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn202
b:54.5
occ:0.41
|
HB3
|
A:GLU41
|
2.6
|
48.5
|
1.0
|
OD2
|
D:ASP115
|
2.8
|
49.2
|
1.0
|
HB2
|
A:GLU41
|
2.9
|
48.5
|
1.0
|
CD
|
A:GLU41
|
2.9
|
49.2
|
1.0
|
OE2
|
A:GLU41
|
3.1
|
51.0
|
1.0
|
OE1
|
A:GLU41
|
3.1
|
51.0
|
1.0
|
CB
|
A:GLU41
|
3.1
|
39.8
|
1.0
|
O
|
A:HOH308
|
3.4
|
47.4
|
1.0
|
CG
|
A:GLU41
|
3.5
|
44.5
|
1.0
|
CG
|
D:ASP115
|
3.9
|
49.3
|
1.0
|
HG2
|
A:GLU41
|
4.0
|
54.1
|
1.0
|
HA
|
A:ARG38
|
4.0
|
43.6
|
1.0
|
HG2
|
A:ARG38
|
4.1
|
53.2
|
1.0
|
HG3
|
A:GLU41
|
4.3
|
54.1
|
1.0
|
OD1
|
D:ASP115
|
4.3
|
51.1
|
1.0
|
HA
|
A:GLU47
|
4.5
|
60.5
|
1.0
|
CA
|
A:GLU41
|
4.5
|
35.5
|
1.0
|
O
|
A:ARG38
|
4.9
|
36.8
|
1.0
|
CA
|
A:ARG38
|
4.9
|
35.8
|
1.0
|
HG3
|
A:GLU47
|
4.9
|
74.8
|
1.0
|
HB
|
D:THR111
|
4.9
|
49.4
|
1.0
|
C
|
A:GLU41
|
4.9
|
33.9
|
1.0
|
HA
|
A:GLU41
|
5.0
|
43.2
|
1.0
|
HZ3
|
A:LYS37
|
5.0
|
61.3
|
1.0
|
|
Manganese binding site 3 out
of 11 in 6qil
Go back to
Manganese Binding Sites List in 6qil
Manganese binding site 3 out
of 11 in the The Complex Structure of Hsrosr-S1 (VNG0258H/Rosr-S1)
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 3 of The Complex Structure of Hsrosr-S1 (VNG0258H/Rosr-S1) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn203
b:31.9
occ:0.29
|
HH
|
A:TYR43
|
2.0
|
53.8
|
1.0
|
HE2
|
B:LYS20
|
2.2
|
58.4
|
1.0
|
HZ1
|
B:LYS20
|
2.2
|
60.2
|
1.0
|
HD21
|
A:ASN21
|
2.3
|
41.7
|
1.0
|
O
|
B:HOH301
|
2.5
|
38.3
|
1.0
|
OH
|
A:TYR43
|
2.7
|
44.3
|
1.0
|
NZ
|
B:LYS20
|
2.8
|
49.6
|
1.0
|
CE
|
B:LYS20
|
2.8
|
48.1
|
1.0
|
HE2
|
A:TYR43
|
2.9
|
43.0
|
1.0
|
HZ3
|
B:LYS20
|
3.0
|
60.2
|
1.0
|
HE3
|
B:LYS20
|
3.1
|
58.4
|
1.0
|
ND2
|
A:ASN21
|
3.1
|
34.2
|
1.0
|
O
|
B:ARG13
|
3.2
|
41.8
|
1.0
|
HB1
|
A:ALA17
|
3.4
|
47.2
|
1.0
|
CE2
|
A:TYR43
|
3.5
|
35.2
|
1.0
|
CZ
|
A:TYR43
|
3.5
|
38.2
|
1.0
|
HA
|
B:ARG13
|
3.5
|
45.9
|
1.0
|
HZ2
|
B:LYS20
|
3.6
|
60.2
|
1.0
|
HD22
|
A:ASN21
|
3.6
|
41.7
|
1.0
|
OD1
|
A:ASN21
|
3.9
|
33.6
|
1.0
|
C
|
B:ARG13
|
4.0
|
41.2
|
1.0
|
CG
|
A:ASN21
|
4.0
|
33.5
|
1.0
|
HE2
|
A:TYR44
|
4.0
|
40.6
|
1.0
|
O
|
A:HOH301
|
4.1
|
27.9
|
1.0
|
CD
|
B:LYS20
|
4.2
|
45.1
|
1.0
|
HH
|
A:TYR44
|
4.2
|
42.9
|
1.0
|
CA
|
B:ARG13
|
4.2
|
37.7
|
1.0
|
HD3
|
B:LYS20
|
4.3
|
54.8
|
1.0
|
CB
|
A:ALA17
|
4.3
|
38.8
|
1.0
|
HB3
|
B:ARG13
|
4.4
|
44.8
|
1.0
|
O
|
A:HOH304
|
4.5
|
41.1
|
1.0
|
HB3
|
A:ALA17
|
4.6
|
47.2
|
1.0
|
HD2
|
B:LYS20
|
4.6
|
54.8
|
1.0
|
CE2
|
A:TYR44
|
4.7
|
33.2
|
1.0
|
O
|
B:ALA12
|
4.7
|
37.3
|
1.0
|
HB2
|
A:ALA17
|
4.7
|
47.2
|
1.0
|
CD2
|
A:TYR43
|
4.7
|
32.8
|
1.0
|
O
|
B:LEU15
|
4.8
|
35.9
|
1.0
|
CE1
|
A:TYR43
|
4.8
|
36.4
|
1.0
|
OH
|
A:TYR44
|
4.8
|
35.2
|
1.0
|
CB
|
B:ARG13
|
4.9
|
36.7
|
1.0
|
OD1
|
B:ASP91
|
4.9
|
45.9
|
1.0
|
HG3
|
B:LYS20
|
5.0
|
50.9
|
1.0
|
|
Manganese binding site 4 out
of 11 in 6qil
Go back to
Manganese Binding Sites List in 6qil
Manganese binding site 4 out
of 11 in the The Complex Structure of Hsrosr-S1 (VNG0258H/Rosr-S1)
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 4 of The Complex Structure of Hsrosr-S1 (VNG0258H/Rosr-S1) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn204
b:13.1
occ:0.15
|
HH21
|
B:ARG106
|
2.4
|
49.7
|
1.0
|
OE1
|
B:GLU110
|
2.7
|
46.5
|
1.0
|
HB2
|
A:ALA114
|
2.7
|
40.3
|
1.0
|
O
|
A:GLU110
|
2.8
|
34.8
|
1.0
|
OE1
|
A:GLU110
|
2.9
|
47.4
|
1.0
|
NH2
|
B:ARG106
|
3.1
|
41.7
|
1.0
|
HB3
|
A:GLU110
|
3.2
|
50.8
|
1.0
|
HH22
|
B:ARG106
|
3.3
|
49.7
|
1.0
|
HA
|
A:GLU110
|
3.3
|
47.6
|
1.0
|
H
|
A:ALA114
|
3.5
|
36.8
|
1.0
|
HB
|
A:VAL113
|
3.6
|
39.7
|
1.0
|
C
|
A:GLU110
|
3.6
|
35.8
|
1.0
|
CB
|
A:ALA114
|
3.6
|
33.0
|
1.0
|
CA
|
A:GLU110
|
3.7
|
39.1
|
1.0
|
HG12
|
A:VAL113
|
3.8
|
41.6
|
1.0
|
CD
|
B:GLU110
|
3.8
|
48.0
|
1.0
|
N
|
A:ALA114
|
3.8
|
30.1
|
1.0
|
CB
|
A:GLU110
|
3.9
|
41.7
|
1.0
|
HE
|
B:ARG106
|
4.0
|
49.8
|
1.0
|
HA
|
A:ALA114
|
4.0
|
38.9
|
1.0
|
HB3
|
A:ALA114
|
4.1
|
40.3
|
1.0
|
CD
|
A:GLU110
|
4.1
|
47.2
|
1.0
|
CA
|
A:ALA114
|
4.1
|
31.9
|
1.0
|
CZ
|
B:ARG106
|
4.2
|
42.8
|
1.0
|
OE2
|
B:GLU110
|
4.2
|
47.4
|
1.0
|
HB1
|
A:ALA114
|
4.2
|
40.3
|
1.0
|
CB
|
A:VAL113
|
4.4
|
32.5
|
1.0
|
CG1
|
A:VAL113
|
4.4
|
34.1
|
1.0
|
NE
|
B:ARG106
|
4.5
|
43.1
|
1.0
|
C
|
A:VAL113
|
4.6
|
29.0
|
1.0
|
CG
|
A:GLU110
|
4.6
|
44.8
|
1.0
|
HB2
|
A:GLU110
|
4.6
|
50.8
|
1.0
|
HG11
|
A:VAL113
|
4.7
|
41.6
|
1.0
|
N
|
A:THR111
|
4.8
|
34.9
|
1.0
|
HA
|
A:THR111
|
5.0
|
40.6
|
1.0
|
CA
|
A:VAL113
|
5.0
|
29.6
|
1.0
|
|
Manganese binding site 5 out
of 11 in 6qil
Go back to
Manganese Binding Sites List in 6qil
Manganese binding site 5 out
of 11 in the The Complex Structure of Hsrosr-S1 (VNG0258H/Rosr-S1)
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 5 of The Complex Structure of Hsrosr-S1 (VNG0258H/Rosr-S1) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mn201
b:1.0
occ:0.83
|
H
|
B:HIS50
|
2.5
|
65.6
|
1.0
|
ND1
|
B:HIS50
|
2.8
|
58.2
|
1.0
|
HE3
|
B:LYS37
|
2.9
|
65.2
|
1.0
|
HE2
|
B:LYS37
|
3.0
|
65.2
|
1.0
|
HB3
|
B:HIS50
|
3.0
|
64.7
|
1.0
|
N
|
B:HIS50
|
3.4
|
54.1
|
1.0
|
CE
|
B:LYS37
|
3.4
|
53.8
|
1.0
|
HA
|
B:ASN49
|
3.4
|
65.5
|
1.0
|
CG
|
B:HIS50
|
3.7
|
55.5
|
1.0
|
CB
|
B:HIS50
|
3.7
|
53.3
|
1.0
|
CE1
|
B:HIS50
|
3.9
|
60.9
|
1.0
|
HZ2
|
B:LYS37
|
4.0
|
68.2
|
1.0
|
HE1
|
B:HIS50
|
4.0
|
73.8
|
1.0
|
O
|
B:VAL48
|
4.1
|
58.3
|
1.0
|
CA
|
B:HIS50
|
4.1
|
51.9
|
1.0
|
CA
|
B:ASN49
|
4.2
|
54.0
|
1.0
|
HD2
|
B:LYS37
|
4.3
|
61.7
|
1.0
|
C
|
B:ASN49
|
4.3
|
52.5
|
1.0
|
NZ
|
B:LYS37
|
4.3
|
56.2
|
1.0
|
OE2
|
B:GLU47
|
4.4
|
75.6
|
1.0
|
CD
|
B:LYS37
|
4.5
|
50.8
|
1.0
|
O4
|
E:SO4101
|
4.5
|
97.5
|
1.0
|
HB2
|
B:HIS50
|
4.5
|
64.7
|
1.0
|
HA
|
B:HIS50
|
4.7
|
63.0
|
1.0
|
H
|
B:GLY51
|
4.8
|
64.6
|
1.0
|
HZ1
|
B:LYS37
|
4.8
|
68.2
|
1.0
|
CD2
|
B:HIS50
|
4.9
|
56.1
|
1.0
|
OD1
|
B:ASN49
|
4.9
|
61.9
|
1.0
|
HD3
|
B:LYS37
|
4.9
|
61.7
|
1.0
|
CD
|
B:GLU47
|
4.9
|
75.5
|
1.0
|
HZ3
|
B:LYS37
|
5.0
|
68.2
|
1.0
|
NE2
|
B:HIS50
|
5.0
|
59.6
|
1.0
|
HB3
|
B:ASN49
|
5.0
|
66.9
|
1.0
|
|
Manganese binding site 6 out
of 11 in 6qil
Go back to
Manganese Binding Sites List in 6qil
Manganese binding site 6 out
of 11 in the The Complex Structure of Hsrosr-S1 (VNG0258H/Rosr-S1)
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 6 of The Complex Structure of Hsrosr-S1 (VNG0258H/Rosr-S1) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mn202
b:58.9
occ:0.55
|
HE
|
B:ARG13
|
2.3
|
42.0
|
1.0
|
HB3
|
B:ASP90
|
2.4
|
50.7
|
1.0
|
HH21
|
B:ARG13
|
2.8
|
45.3
|
1.0
|
CB
|
B:ASP90
|
3.1
|
41.6
|
1.0
|
HB2
|
B:ASP90
|
3.1
|
50.7
|
1.0
|
O
|
A:HOH301
|
3.1
|
27.9
|
1.0
|
C
|
B:ASP90
|
3.1
|
37.0
|
1.0
|
HG2
|
B:ARG9
|
3.1
|
52.0
|
1.0
|
NE
|
B:ARG13
|
3.2
|
34.4
|
1.0
|
O
|
B:ASP90
|
3.2
|
38.1
|
1.0
|
HA
|
B:ASP91
|
3.2
|
47.2
|
1.0
|
N
|
B:ASP91
|
3.4
|
36.4
|
1.0
|
HG2
|
B:ARG13
|
3.4
|
42.9
|
1.0
|
NH2
|
B:ARG13
|
3.5
|
37.2
|
1.0
|
CA
|
B:ASP90
|
3.7
|
38.1
|
1.0
|
H
|
B:ASP91
|
3.7
|
44.4
|
1.0
|
CA
|
B:ASP91
|
3.8
|
38.8
|
1.0
|
CZ
|
B:ARG13
|
3.8
|
35.7
|
1.0
|
HD21
|
C:ASN82
|
3.9
|
63.6
|
1.0
|
HE1
|
A:TYR43
|
3.9
|
44.4
|
1.0
|
HB2
|
B:TRP94
|
3.9
|
42.0
|
0.4
|
CG
|
B:ARG9
|
4.0
|
42.8
|
1.0
|
CG
|
B:ARG13
|
4.1
|
35.1
|
1.0
|
HA
|
B:ARG9
|
4.1
|
52.2
|
1.0
|
HG3
|
B:ARG9
|
4.1
|
52.0
|
1.0
|
HB2
|
B:ASP91
|
4.1
|
50.3
|
1.0
|
HA
|
B:ASP90
|
4.1
|
46.4
|
1.0
|
HG3
|
B:ARG13
|
4.2
|
42.9
|
1.0
|
HB2
|
B:TRP94
|
4.2
|
41.9
|
0.6
|
CD
|
B:ARG13
|
4.2
|
36.7
|
1.0
|
HB3
|
B:TRP94
|
4.3
|
41.9
|
0.6
|
HH22
|
B:ARG13
|
4.3
|
45.3
|
1.0
|
HD22
|
C:ASN82
|
4.3
|
63.6
|
1.0
|
CG
|
B:ASP90
|
4.4
|
46.3
|
1.0
|
HH21
|
B:ARG9
|
4.4
|
55.1
|
1.0
|
ND2
|
C:ASN82
|
4.4
|
52.4
|
1.0
|
HD3
|
B:ARG9
|
4.5
|
54.8
|
1.0
|
OH
|
A:TYR43
|
4.6
|
44.3
|
1.0
|
CB
|
B:ASP91
|
4.6
|
41.3
|
1.0
|
CE1
|
A:TYR43
|
4.6
|
36.4
|
1.0
|
CB
|
B:TRP94
|
4.7
|
34.3
|
0.6
|
HD3
|
B:ARG13
|
4.7
|
44.7
|
1.0
|
HB3
|
B:TRP94
|
4.7
|
42.0
|
0.4
|
O
|
B:ALA87
|
4.7
|
35.2
|
1.0
|
OD2
|
B:ASP90
|
4.7
|
48.4
|
1.0
|
CB
|
B:TRP94
|
4.8
|
34.4
|
0.4
|
N
|
B:ASP90
|
4.8
|
37.6
|
1.0
|
CD
|
B:ARG9
|
4.9
|
45.1
|
1.0
|
H
|
B:TRP94
|
4.9
|
42.1
|
0.6
|
H
|
B:TRP94
|
4.9
|
42.1
|
0.4
|
HD2
|
B:ARG13
|
4.9
|
44.7
|
1.0
|
CA
|
B:ARG9
|
4.9
|
43.0
|
1.0
|
H
|
B:ASP90
|
4.9
|
45.8
|
1.0
|
CB
|
B:ARG9
|
5.0
|
44.6
|
1.0
|
CZ
|
A:TYR43
|
5.0
|
38.2
|
1.0
|
|
Manganese binding site 7 out
of 11 in 6qil
Go back to
Manganese Binding Sites List in 6qil
Manganese binding site 7 out
of 11 in the The Complex Structure of Hsrosr-S1 (VNG0258H/Rosr-S1)
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 7 of The Complex Structure of Hsrosr-S1 (VNG0258H/Rosr-S1) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mn203
b:35.9
occ:0.39
|
HB3
|
C:ASN82
|
2.6
|
56.3
|
1.0
|
HB3
|
B:GLU93
|
2.9
|
41.1
|
1.0
|
H
|
C:GLU83
|
2.9
|
44.0
|
1.0
|
HB
|
C:THR81
|
2.9
|
40.5
|
1.0
|
HB2
|
C:ASN82
|
3.0
|
56.3
|
1.0
|
H
|
C:ASN82
|
3.1
|
44.4
|
1.0
|
CB
|
C:ASN82
|
3.2
|
46.3
|
1.0
|
OE1
|
B:GLU93
|
3.2
|
38.5
|
1.0
|
HB2
|
C:GLU83
|
3.4
|
47.9
|
1.0
|
O
|
B:HOH303
|
3.4
|
26.8
|
1.0
|
N
|
C:GLU83
|
3.5
|
36.1
|
1.0
|
N
|
C:ASN82
|
3.5
|
36.4
|
1.0
|
HG2
|
B:GLU93
|
3.6
|
41.4
|
1.0
|
CD
|
B:GLU93
|
3.7
|
36.8
|
1.0
|
CB
|
B:GLU93
|
3.7
|
33.7
|
1.0
|
CA
|
C:ASN82
|
3.8
|
38.6
|
1.0
|
CB
|
C:THR81
|
3.8
|
33.2
|
1.0
|
HG23
|
A:ILE112
|
3.9
|
34.2
|
1.0
|
CG
|
B:GLU93
|
3.9
|
33.9
|
1.0
|
HG1
|
C:THR81
|
4.1
|
40.5
|
1.0
|
C
|
C:ASN82
|
4.1
|
37.2
|
1.0
|
OG1
|
C:THR81
|
4.1
|
33.2
|
1.0
|
CB
|
C:GLU83
|
4.1
|
39.4
|
1.0
|
HB2
|
B:GLU93
|
4.3
|
41.1
|
1.0
|
HB3
|
C:GLU83
|
4.3
|
47.9
|
1.0
|
C
|
C:THR81
|
4.4
|
33.2
|
1.0
|
CA
|
C:GLU83
|
4.4
|
34.3
|
1.0
|
OD1
|
A:ASP116
|
4.5
|
40.1
|
1.0
|
CG
|
C:ASN82
|
4.5
|
52.0
|
1.0
|
OE2
|
B:GLU93
|
4.6
|
38.2
|
1.0
|
HG21
|
C:THR81
|
4.6
|
40.4
|
1.0
|
HG12
|
A:ILE112
|
4.6
|
35.4
|
1.0
|
HA
|
B:GLU93
|
4.6
|
42.4
|
1.0
|
CA
|
C:THR81
|
4.7
|
32.5
|
1.0
|
CG2
|
C:THR81
|
4.7
|
33.1
|
1.0
|
O
|
A:HOH302
|
4.7
|
35.9
|
1.0
|
CA
|
B:GLU93
|
4.7
|
34.8
|
1.0
|
HA
|
C:ASN82
|
4.7
|
47.0
|
1.0
|
HB3
|
B:SER97
|
4.7
|
48.4
|
1.0
|
CG2
|
A:ILE112
|
4.8
|
27.9
|
1.0
|
O
|
B:GLU93
|
4.8
|
35.9
|
1.0
|
HA
|
C:GLU83
|
4.8
|
41.8
|
1.0
|
HA
|
C:THR81
|
4.8
|
39.7
|
1.0
|
HG3
|
B:GLU93
|
4.8
|
41.4
|
1.0
|
HG22
|
C:THR81
|
4.9
|
40.4
|
1.0
|
OE2
|
C:GLU83
|
4.9
|
49.3
|
1.0
|
OD1
|
C:ASN82
|
4.9
|
54.3
|
1.0
|
HG21
|
A:ILE112
|
5.0
|
34.2
|
1.0
|
|
Manganese binding site 8 out
of 11 in 6qil
Go back to
Manganese Binding Sites List in 6qil
Manganese binding site 8 out
of 11 in the The Complex Structure of Hsrosr-S1 (VNG0258H/Rosr-S1)
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 8 of The Complex Structure of Hsrosr-S1 (VNG0258H/Rosr-S1) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mn204
b:36.8
occ:0.36
|
HG1
|
B:THR16
|
2.0
|
49.8
|
1.0
|
OP1
|
E:DC17
|
2.5
|
51.2
|
1.0
|
HB3
|
B:PHE18
|
2.7
|
52.2
|
1.0
|
HD22
|
B:ASN56
|
2.8
|
58.6
|
1.0
|
OD1
|
B:ASN56
|
2.8
|
47.9
|
1.0
|
OG1
|
B:THR16
|
2.8
|
40.9
|
1.0
|
HG3
|
B:GLN19
|
3.0
|
46.7
|
1.0
|
HD2
|
B:PHE18
|
3.1
|
55.3
|
1.0
|
ND2
|
B:ASN56
|
3.2
|
48.2
|
1.0
|
P
|
E:DC17
|
3.2
|
50.5
|
1.0
|
CG
|
B:ASN56
|
3.2
|
46.4
|
1.0
|
HG21
|
B:THR16
|
3.2
|
48.6
|
1.0
|
OP2
|
E:DC17
|
3.4
|
51.2
|
1.0
|
O3'
|
E:DT16
|
3.6
|
48.5
|
1.0
|
CB
|
B:PHE18
|
3.6
|
42.9
|
1.0
|
CB
|
B:THR16
|
3.7
|
39.5
|
1.0
|
CG2
|
B:THR16
|
3.8
|
39.9
|
1.0
|
HB
|
B:THR16
|
3.8
|
48.0
|
1.0
|
CD2
|
B:PHE18
|
3.8
|
45.5
|
1.0
|
HG23
|
B:THR16
|
3.8
|
48.6
|
1.0
|
HB2
|
B:PHE18
|
3.8
|
52.2
|
1.0
|
HD21
|
B:ASN56
|
3.9
|
58.6
|
1.0
|
H
|
B:GLN19
|
3.9
|
47.3
|
1.0
|
CG
|
B:GLN19
|
3.9
|
38.4
|
1.0
|
HE
|
B:ARG52
|
4.1
|
59.2
|
1.0
|
H3'
|
E:DT16
|
4.1
|
61.9
|
1.0
|
CG
|
B:PHE18
|
4.2
|
44.4
|
1.0
|
HH21
|
B:ARG52
|
4.2
|
63.5
|
1.0
|
HE21
|
B:GLN19
|
4.2
|
50.8
|
1.0
|
CD
|
B:GLN19
|
4.3
|
39.9
|
1.0
|
HG2
|
B:GLN19
|
4.3
|
46.7
|
1.0
|
NE2
|
B:GLN19
|
4.4
|
41.8
|
1.0
|
N
|
B:GLN19
|
4.4
|
38.8
|
1.0
|
C3'
|
E:DT16
|
4.4
|
51.0
|
1.0
|
H
|
B:PHE18
|
4.5
|
49.5
|
1.0
|
CB
|
B:ASN56
|
4.5
|
43.7
|
1.0
|
HB3
|
B:ASN56
|
4.5
|
53.1
|
1.0
|
HG22
|
B:THR16
|
4.7
|
48.6
|
1.0
|
O5'
|
E:DC17
|
4.7
|
51.4
|
1.0
|
CA
|
B:PHE18
|
4.7
|
39.6
|
1.0
|
NE
|
B:ARG52
|
4.8
|
48.8
|
1.0
|
HB2
|
B:ASN56
|
4.8
|
53.1
|
1.0
|
NH2
|
B:ARG52
|
4.9
|
52.4
|
1.0
|
CE2
|
B:PHE18
|
4.9
|
46.3
|
1.0
|
O
|
B:HOH315
|
4.9
|
29.1
|
1.0
|
HE22
|
B:GLN19
|
4.9
|
50.8
|
1.0
|
OE1
|
B:GLN19
|
5.0
|
40.1
|
1.0
|
HG2
|
B:ARG52
|
5.0
|
56.3
|
1.0
|
N
|
B:PHE18
|
5.0
|
40.7
|
1.0
|
C
|
B:PHE18
|
5.0
|
38.7
|
1.0
|
|
Manganese binding site 9 out
of 11 in 6qil
Go back to
Manganese Binding Sites List in 6qil
Manganese binding site 9 out
of 11 in the The Complex Structure of Hsrosr-S1 (VNG0258H/Rosr-S1)
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 9 of The Complex Structure of Hsrosr-S1 (VNG0258H/Rosr-S1) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mn201
b:98.4
occ:1.00
|
HE3
|
C:LYS37
|
2.5
|
71.8
|
1.0
|
H
|
C:HIS50
|
2.5
|
60.7
|
1.0
|
HA
|
C:ASN49
|
3.0
|
67.5
|
1.0
|
ND1
|
C:HIS50
|
3.2
|
54.3
|
1.0
|
HB3
|
C:HIS50
|
3.2
|
57.2
|
1.0
|
N
|
C:HIS50
|
3.3
|
50.0
|
1.0
|
CE
|
C:LYS37
|
3.4
|
59.3
|
1.0
|
HE2
|
C:LYS37
|
3.5
|
71.8
|
1.0
|
CA
|
C:ASN49
|
3.9
|
55.6
|
1.0
|
CB
|
C:HIS50
|
3.9
|
47.1
|
1.0
|
OE1
|
C:GLU47
|
3.9
|
73.6
|
1.0
|
HZ1
|
C:LYS37
|
4.0
|
76.3
|
1.0
|
CG
|
C:HIS50
|
4.0
|
50.5
|
1.0
|
O
|
C:VAL48
|
4.0
|
53.9
|
1.0
|
HD2
|
C:LYS37
|
4.0
|
64.5
|
1.0
|
C
|
C:ASN49
|
4.1
|
50.5
|
1.0
|
NZ
|
C:LYS37
|
4.2
|
63.0
|
1.0
|
CA
|
C:HIS50
|
4.2
|
46.2
|
1.0
|
CE1
|
C:HIS50
|
4.3
|
56.9
|
1.0
|
CD
|
C:LYS37
|
4.3
|
53.1
|
1.0
|
HZ2
|
C:LYS37
|
4.4
|
76.3
|
1.0
|
HE1
|
C:HIS50
|
4.4
|
69.0
|
1.0
|
OD1
|
C:ASN49
|
4.5
|
69.7
|
1.0
|
HB3
|
C:ASN49
|
4.6
|
72.5
|
1.0
|
CB
|
C:ASN49
|
4.7
|
59.8
|
1.0
|
C
|
C:VAL48
|
4.7
|
53.8
|
1.0
|
HA
|
C:HIS50
|
4.7
|
56.2
|
1.0
|
HG2
|
C:GLU47
|
4.7
|
82.9
|
1.0
|
HD3
|
C:LYS37
|
4.8
|
64.5
|
1.0
|
HB2
|
C:HIS50
|
4.8
|
57.2
|
1.0
|
N
|
C:ASN49
|
4.8
|
55.0
|
1.0
|
CD
|
C:GLU47
|
4.8
|
74.5
|
1.0
|
H
|
C:GLY51
|
4.9
|
60.4
|
1.0
|
HZ3
|
C:LYS37
|
5.0
|
76.3
|
1.0
|
|
Manganese binding site 10 out
of 11 in 6qil
Go back to
Manganese Binding Sites List in 6qil
Manganese binding site 10 out
of 11 in the The Complex Structure of Hsrosr-S1 (VNG0258H/Rosr-S1)
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 10 of The Complex Structure of Hsrosr-S1 (VNG0258H/Rosr-S1) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mn202
b:71.5
occ:0.53
|
HH
|
C:TYR78
|
2.1
|
47.1
|
1.0
|
OP2
|
H:DG8
|
2.7
|
43.6
|
1.0
|
OD1
|
C:ASP58
|
2.7
|
48.0
|
1.0
|
OH
|
C:TYR78
|
2.8
|
38.7
|
1.0
|
HD1
|
C:TYR54
|
2.9
|
48.8
|
1.0
|
HB2
|
C:LEU57
|
3.2
|
45.0
|
1.0
|
HE2
|
C:TYR78
|
3.2
|
44.0
|
1.0
|
O
|
C:TYR54
|
3.3
|
39.1
|
1.0
|
HB3
|
C:TYR54
|
3.4
|
51.0
|
1.0
|
CG
|
C:ASP58
|
3.5
|
48.6
|
1.0
|
HA
|
C:TYR54
|
3.6
|
48.5
|
1.0
|
CZ
|
C:TYR78
|
3.7
|
36.5
|
1.0
|
CD1
|
C:TYR54
|
3.7
|
40.1
|
1.0
|
CE2
|
C:TYR78
|
3.8
|
36.1
|
1.0
|
HD3
|
C:LYS68
|
3.8
|
67.0
|
1.0
|
P
|
H:DG8
|
3.8
|
45.4
|
1.0
|
OD2
|
C:ASP58
|
3.8
|
52.1
|
1.0
|
HD12
|
C:LEU57
|
3.9
|
50.7
|
1.0
|
OP1
|
H:DG8
|
3.9
|
46.4
|
1.0
|
HB3
|
C:LEU57
|
4.0
|
45.0
|
1.0
|
H
|
C:ASP58
|
4.0
|
47.2
|
1.0
|
CB
|
C:LEU57
|
4.0
|
36.9
|
1.0
|
CB
|
C:TYR54
|
4.0
|
41.9
|
1.0
|
HZ3
|
C:LYS68
|
4.0
|
75.8
|
1.0
|
C
|
C:TYR54
|
4.1
|
40.4
|
1.0
|
CA
|
C:TYR54
|
4.1
|
39.8
|
1.0
|
HD2
|
C:LYS68
|
4.1
|
67.0
|
1.0
|
HD13
|
C:LEU57
|
4.2
|
50.7
|
1.0
|
HD22
|
C:ASN76
|
4.3
|
55.0
|
1.0
|
N
|
C:ASP58
|
4.3
|
38.8
|
1.0
|
H3'
|
H:DT7
|
4.3
|
57.6
|
1.0
|
CG
|
C:TYR54
|
4.3
|
42.1
|
1.0
|
CD
|
C:LYS68
|
4.4
|
55.3
|
1.0
|
CD1
|
C:LEU57
|
4.5
|
41.7
|
1.0
|
O3'
|
H:DT7
|
4.6
|
46.6
|
1.0
|
HA
|
C:ASP58
|
4.6
|
48.6
|
1.0
|
HZ2
|
C:LYS68
|
4.7
|
75.8
|
1.0
|
CB
|
C:ASP58
|
4.7
|
45.1
|
1.0
|
CE1
|
C:TYR54
|
4.7
|
41.2
|
1.0
|
HE1
|
C:TYR54
|
4.7
|
50.1
|
1.0
|
NZ
|
C:LYS68
|
4.7
|
62.6
|
1.0
|
C
|
C:LEU57
|
4.8
|
37.7
|
1.0
|
CA
|
C:ASP58
|
4.8
|
39.9
|
1.0
|
CG
|
C:LEU57
|
4.9
|
38.4
|
1.0
|
C3'
|
H:DT7
|
4.9
|
47.4
|
1.0
|
HB2
|
C:TYR54
|
4.9
|
51.0
|
1.0
|
CE1
|
C:TYR78
|
4.9
|
35.9
|
1.0
|
CA
|
C:LEU57
|
5.0
|
36.6
|
1.0
|
HB2
|
C:ASP58
|
5.0
|
54.9
|
1.0
|
|
Reference:
N.Kutnowski,
F.Shmulevich,
G.Davidov,
A.Shahar,
D.Bar-Zvi,
J.Eichler,
R.Zarivach,
B.Shaanan.
Specificity of Protein-Dna Interactions in Hypersaline Environment: Structural Studies on Complexes of Halobacterium Salinarum Oxidative Stress-Dependent Protein Hsrosr. Nucleic Acids Res. V. 47 8860 2019.
ISSN: ESSN 1362-4962
PubMed: 31310308
DOI: 10.1093/NAR/GKZ604
Page generated: Sun Oct 6 05:59:20 2024
|