Magnesium in PDB 1ofh: Asymmetric Complex Between Hslv and I-Domain Deleted Hslu (H. Influenzae)
Protein crystallography data
The structure of Asymmetric Complex Between Hslv and I-Domain Deleted Hslu (H. Influenzae), PDB code: 1ofh
was solved by
A.R.Kwon,
B.M.Kessler,
H.S.Overkleeft,
D.B.Mckay,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
40.0 /
2.5
|
Space group
|
P 6
|
Cell size a, b, c (Å), α, β, γ (°)
|
192.220,
192.220,
115.890,
90.00,
90.00,
120.00
|
R / Rfree (%)
|
22.4 /
27.7
|
Magnesium Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
12;
Binding sites:
The binding sites of Magnesium atom in the Asymmetric Complex Between Hslv and I-Domain Deleted Hslu (H. Influenzae)
(pdb code 1ofh). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 12 binding sites of Magnesium where determined in the
Asymmetric Complex Between Hslv and I-Domain Deleted Hslu (H. Influenzae), PDB code: 1ofh:
Jump to Magnesium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Magnesium binding site 1 out
of 12 in 1ofh
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Magnesium Binding Sites List in 1ofh
Magnesium binding site 1 out
of 12 in the Asymmetric Complex Between Hslv and I-Domain Deleted Hslu (H. Influenzae)
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Asymmetric Complex Between Hslv and I-Domain Deleted Hslu (H. Influenzae) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg451
b:43.1
occ:1.00
|
O
|
A:HOH2005
|
2.0
|
43.1
|
1.0
|
O1B
|
A:ADP450
|
2.0
|
60.1
|
1.0
|
O2
|
A:PO4452
|
2.1
|
0.3
|
1.0
|
O
|
A:HOH2019
|
2.1
|
43.1
|
1.0
|
O
|
A:HOH2020
|
2.1
|
43.1
|
1.0
|
O
|
A:HOH2006
|
2.1
|
43.1
|
1.0
|
O1
|
A:PO4452
|
2.8
|
99.4
|
1.0
|
P
|
A:PO4452
|
2.9
|
0.1
|
1.0
|
PB
|
A:ADP450
|
3.5
|
48.1
|
1.0
|
O4
|
A:PO4452
|
3.5
|
0.8
|
1.0
|
OD2
|
A:ASP257
|
3.9
|
58.5
|
1.0
|
O3B
|
A:ADP450
|
3.9
|
49.6
|
1.0
|
O2B
|
A:ADP450
|
4.1
|
46.8
|
1.0
|
O3
|
A:PO4452
|
4.2
|
0.7
|
1.0
|
OD1
|
A:ASP257
|
4.3
|
57.1
|
1.0
|
O2A
|
A:ADP450
|
4.3
|
37.3
|
1.0
|
N
|
A:GLY60
|
4.5
|
36.8
|
1.0
|
CG
|
A:ASP257
|
4.5
|
55.8
|
1.0
|
NZ
|
A:LYS63
|
4.6
|
32.7
|
1.0
|
MG
|
A:MG453
|
4.7
|
76.4
|
1.0
|
CG2
|
A:THR59
|
4.7
|
66.1
|
1.0
|
O3A
|
A:ADP450
|
4.7
|
42.6
|
1.0
|
OG1
|
A:THR64
|
4.8
|
42.0
|
1.0
|
CA
|
A:THR59
|
4.9
|
45.0
|
1.0
|
OE1
|
A:GLU258
|
5.0
|
0.5
|
1.0
|
|
Magnesium binding site 2 out
of 12 in 1ofh
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Magnesium Binding Sites List in 1ofh
Magnesium binding site 2 out
of 12 in the Asymmetric Complex Between Hslv and I-Domain Deleted Hslu (H. Influenzae)
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Asymmetric Complex Between Hslv and I-Domain Deleted Hslu (H. Influenzae) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg453
b:76.4
occ:1.00
|
O
|
A:HOH2007
|
2.1
|
76.4
|
1.0
|
O1
|
A:PO4452
|
2.2
|
99.4
|
1.0
|
OE1
|
A:GLU258
|
2.3
|
0.5
|
1.0
|
CD
|
A:GLU258
|
3.4
|
1.0
|
1.0
|
P
|
A:PO4452
|
3.6
|
0.1
|
1.0
|
O
|
A:HOH2005
|
3.8
|
43.1
|
1.0
|
O3
|
A:PO4452
|
4.1
|
0.7
|
1.0
|
O
|
A:HOH2020
|
4.1
|
43.1
|
1.0
|
CG
|
A:GLU258
|
4.1
|
0.3
|
1.0
|
O4
|
A:PO4452
|
4.2
|
0.8
|
1.0
|
OE2
|
A:GLU258
|
4.2
|
0.8
|
1.0
|
OG1
|
A:THR59
|
4.5
|
69.8
|
1.0
|
O2
|
A:PO4452
|
4.7
|
0.3
|
1.0
|
MG
|
A:MG451
|
4.7
|
43.1
|
1.0
|
CG2
|
A:THR59
|
4.9
|
66.1
|
1.0
|
CE
|
A:LYS261
|
4.9
|
81.8
|
1.0
|
|
Magnesium binding site 3 out
of 12 in 1ofh
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Magnesium Binding Sites List in 1ofh
Magnesium binding site 3 out
of 12 in the Asymmetric Complex Between Hslv and I-Domain Deleted Hslu (H. Influenzae)
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of Asymmetric Complex Between Hslv and I-Domain Deleted Hslu (H. Influenzae) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg451
b:40.9
occ:1.00
|
O1B
|
B:ADP450
|
1.9
|
51.5
|
1.0
|
O
|
B:HOH2012
|
2.0
|
41.3
|
1.0
|
O2
|
B:PO4452
|
2.0
|
1.0
|
1.0
|
O
|
B:HOH2028
|
2.1
|
40.9
|
1.0
|
O
|
B:HOH2011
|
2.1
|
40.9
|
1.0
|
O
|
B:HOH2027
|
2.1
|
40.9
|
1.0
|
P
|
B:PO4452
|
3.0
|
0.7
|
1.0
|
PB
|
B:ADP450
|
3.3
|
39.5
|
1.0
|
O4
|
B:PO4452
|
3.4
|
0.5
|
1.0
|
O1
|
B:PO4452
|
3.4
|
0.1
|
1.0
|
O3B
|
B:ADP450
|
3.7
|
41.1
|
1.0
|
OD2
|
B:ASP257
|
3.7
|
64.3
|
1.0
|
O2B
|
B:ADP450
|
3.8
|
38.2
|
1.0
|
OE1
|
C:GLU322
|
4.1
|
67.5
|
1.0
|
OD1
|
B:ASP257
|
4.1
|
62.9
|
1.0
|
O2A
|
B:ADP450
|
4.3
|
28.8
|
1.0
|
NZ
|
B:LYS63
|
4.3
|
32.7
|
1.0
|
OG1
|
B:THR64
|
4.3
|
35.1
|
1.0
|
O3
|
B:PO4452
|
4.4
|
0.3
|
1.0
|
CG
|
B:ASP257
|
4.4
|
61.6
|
1.0
|
N
|
B:GLY60
|
4.5
|
24.9
|
1.0
|
O3A
|
B:ADP450
|
4.6
|
34.1
|
1.0
|
OE1
|
B:GLU258
|
4.6
|
68.8
|
1.0
|
CG
|
C:GLU322
|
4.7
|
59.2
|
1.0
|
NZ
|
B:LYS80
|
4.8
|
32.0
|
1.0
|
CD
|
C:GLU322
|
4.9
|
65.9
|
1.0
|
CG2
|
B:THR59
|
5.0
|
40.5
|
1.0
|
|
Magnesium binding site 4 out
of 12 in 1ofh
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Magnesium Binding Sites List in 1ofh
Magnesium binding site 4 out
of 12 in the Asymmetric Complex Between Hslv and I-Domain Deleted Hslu (H. Influenzae)
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of Asymmetric Complex Between Hslv and I-Domain Deleted Hslu (H. Influenzae) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg453
b:61.9
occ:1.00
|
O
|
B:HOH2009
|
2.0
|
61.9
|
1.0
|
O
|
B:HOH2013
|
2.1
|
61.9
|
1.0
|
O
|
C:HOH2013
|
2.1
|
61.9
|
1.0
|
OE1
|
B:GLU258
|
2.3
|
68.8
|
1.0
|
OE1
|
C:GLU322
|
2.4
|
67.5
|
1.0
|
O1
|
B:PO4452
|
2.5
|
0.1
|
1.0
|
CD
|
B:GLU258
|
3.1
|
68.3
|
1.0
|
OE2
|
B:GLU258
|
3.2
|
71.1
|
1.0
|
CD
|
C:GLU322
|
3.3
|
65.9
|
1.0
|
OE2
|
C:GLU322
|
3.6
|
68.9
|
1.0
|
P
|
B:PO4452
|
3.9
|
0.7
|
1.0
|
NH2
|
C:ARG280
|
4.2
|
0.9
|
1.0
|
O
|
B:HOH2012
|
4.2
|
41.3
|
1.0
|
O4
|
B:PO4452
|
4.3
|
0.5
|
1.0
|
O
|
B:HOH2027
|
4.5
|
40.9
|
1.0
|
OG1
|
B:THR59
|
4.5
|
44.2
|
1.0
|
CG
|
B:GLU258
|
4.5
|
63.6
|
1.0
|
O3
|
B:PO4452
|
4.6
|
0.3
|
1.0
|
CG
|
C:GLU322
|
4.7
|
59.2
|
1.0
|
CZ
|
C:ARG280
|
4.8
|
0.9
|
1.0
|
O2
|
B:PO4452
|
4.9
|
1.0
|
1.0
|
CG2
|
B:THR59
|
5.0
|
40.5
|
1.0
|
|
Magnesium binding site 5 out
of 12 in 1ofh
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Magnesium Binding Sites List in 1ofh
Magnesium binding site 5 out
of 12 in the Asymmetric Complex Between Hslv and I-Domain Deleted Hslu (H. Influenzae)
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 5 of Asymmetric Complex Between Hslv and I-Domain Deleted Hslu (H. Influenzae) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg451
b:49.2
occ:1.00
|
O
|
C:HOH2031
|
2.0
|
49.2
|
1.0
|
O1B
|
C:ADP450
|
2.0
|
61.5
|
1.0
|
O
|
C:HOH2029
|
2.1
|
49.2
|
1.0
|
O
|
C:HOH2028
|
2.1
|
49.2
|
1.0
|
O2
|
C:PO4452
|
2.2
|
90.2
|
1.0
|
O1
|
C:PO4452
|
3.1
|
88.4
|
1.0
|
P
|
C:PO4452
|
3.1
|
91.0
|
1.0
|
PB
|
C:ADP450
|
3.4
|
49.5
|
1.0
|
O4
|
C:PO4452
|
3.8
|
89.8
|
1.0
|
OD2
|
C:ASP257
|
3.8
|
57.9
|
1.0
|
O3B
|
C:ADP450
|
3.9
|
51.1
|
1.0
|
O2B
|
C:ADP450
|
3.9
|
48.2
|
1.0
|
OD1
|
C:ASP257
|
4.1
|
62.6
|
1.0
|
O2A
|
C:ADP450
|
4.1
|
38.8
|
1.0
|
CG
|
C:ASP257
|
4.4
|
57.8
|
1.0
|
O3
|
C:PO4452
|
4.4
|
89.6
|
1.0
|
O
|
C:HOH2011
|
4.4
|
46.5
|
1.0
|
N
|
C:GLY60
|
4.5
|
27.5
|
1.0
|
OG1
|
C:THR64
|
4.6
|
32.7
|
1.0
|
O3A
|
C:ADP450
|
4.7
|
44.1
|
1.0
|
CG2
|
C:THR59
|
4.7
|
46.0
|
1.0
|
NZ
|
C:LYS63
|
4.8
|
24.3
|
1.0
|
O
|
C:HOH2030
|
4.8
|
43.6
|
1.0
|
CE
|
C:LYS63
|
4.9
|
24.2
|
1.0
|
NZ
|
C:LYS80
|
4.9
|
37.1
|
1.0
|
CA
|
C:THR59
|
5.0
|
37.0
|
1.0
|
|
Magnesium binding site 6 out
of 12 in 1ofh
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Magnesium Binding Sites List in 1ofh
Magnesium binding site 6 out
of 12 in the Asymmetric Complex Between Hslv and I-Domain Deleted Hslu (H. Influenzae)
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 6 of Asymmetric Complex Between Hslv and I-Domain Deleted Hslu (H. Influenzae) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg453
b:67.6
occ:1.00
|
O
|
C:HOH2012
|
2.1
|
67.6
|
1.0
|
OE1
|
C:GLU258
|
2.5
|
78.2
|
1.0
|
O1
|
C:PO4452
|
2.6
|
88.4
|
1.0
|
CD
|
C:GLU258
|
3.4
|
77.8
|
1.0
|
OE2
|
C:GLU258
|
3.6
|
81.3
|
1.0
|
P
|
C:PO4452
|
3.8
|
91.0
|
1.0
|
O3
|
C:PO4452
|
3.9
|
89.6
|
1.0
|
O
|
C:HOH2031
|
4.2
|
49.2
|
1.0
|
CE
|
C:LYS261
|
4.4
|
79.0
|
1.0
|
NZ
|
C:LYS261
|
4.5
|
81.6
|
1.0
|
O4
|
C:PO4452
|
4.7
|
89.8
|
1.0
|
OG1
|
C:THR59
|
4.7
|
50.0
|
1.0
|
CG2
|
C:THR59
|
4.8
|
46.0
|
1.0
|
CG
|
C:GLU258
|
4.8
|
73.3
|
1.0
|
O2
|
C:PO4452
|
4.8
|
90.2
|
1.0
|
|
Magnesium binding site 7 out
of 12 in 1ofh
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Magnesium Binding Sites List in 1ofh
Magnesium binding site 7 out
of 12 in the Asymmetric Complex Between Hslv and I-Domain Deleted Hslu (H. Influenzae)
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 7 of Asymmetric Complex Between Hslv and I-Domain Deleted Hslu (H. Influenzae) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Mg454
b:51.4
occ:1.00
|
O
|
G:THR163
|
2.4
|
56.7
|
1.0
|
O
|
G:GLY157
|
2.5
|
59.9
|
1.0
|
O
|
G:CYS160
|
2.5
|
46.8
|
1.0
|
C
|
G:THR163
|
3.5
|
56.4
|
1.0
|
C
|
G:CYS160
|
3.7
|
46.8
|
1.0
|
C
|
G:GLY157
|
3.7
|
59.7
|
1.0
|
CA
|
G:VAL161
|
3.9
|
52.8
|
1.0
|
C
|
G:VAL161
|
4.1
|
53.5
|
1.0
|
N
|
G:THR163
|
4.1
|
53.1
|
1.0
|
O
|
G:VAL161
|
4.1
|
54.2
|
1.0
|
N
|
G:VAL161
|
4.3
|
52.2
|
1.0
|
CA
|
G:THR163
|
4.3
|
54.2
|
1.0
|
CA
|
G:GLY157
|
4.4
|
58.7
|
1.0
|
N
|
G:ASN164
|
4.4
|
41.5
|
1.0
|
CA
|
G:ASN164
|
4.5
|
44.1
|
1.0
|
NE2
|
G:GLN19
|
4.5
|
55.4
|
1.0
|
N
|
G:PHE162
|
4.7
|
52.7
|
1.0
|
CB
|
G:THR163
|
4.7
|
50.4
|
1.0
|
N
|
G:ASP158
|
4.8
|
85.6
|
1.0
|
CA
|
G:CYS160
|
4.8
|
46.8
|
1.0
|
N
|
G:CYS160
|
4.8
|
48.2
|
1.0
|
|
Magnesium binding site 8 out
of 12 in 1ofh
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Magnesium Binding Sites List in 1ofh
Magnesium binding site 8 out
of 12 in the Asymmetric Complex Between Hslv and I-Domain Deleted Hslu (H. Influenzae)
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 8 of Asymmetric Complex Between Hslv and I-Domain Deleted Hslu (H. Influenzae) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Mg454
b:48.7
occ:1.00
|
O
|
H:CYS160
|
2.4
|
49.6
|
1.0
|
O
|
H:GLY157
|
2.5
|
53.4
|
1.0
|
O
|
H:THR163
|
2.6
|
62.2
|
1.0
|
C
|
H:CYS160
|
3.5
|
49.6
|
1.0
|
C
|
H:GLY157
|
3.7
|
53.2
|
1.0
|
C
|
H:THR163
|
3.8
|
61.9
|
1.0
|
CA
|
H:VAL161
|
3.8
|
55.1
|
1.0
|
N
|
H:VAL161
|
4.1
|
54.5
|
1.0
|
C
|
H:VAL161
|
4.2
|
55.7
|
1.0
|
N
|
H:THR163
|
4.3
|
58.6
|
1.0
|
CA
|
H:GLY157
|
4.5
|
52.1
|
1.0
|
O
|
H:VAL161
|
4.5
|
56.5
|
1.0
|
CA
|
H:CYS160
|
4.6
|
49.6
|
1.0
|
CA
|
H:THR163
|
4.6
|
59.7
|
1.0
|
N
|
H:CYS160
|
4.6
|
51.0
|
1.0
|
N
|
H:PHE162
|
4.7
|
55.7
|
1.0
|
N
|
H:ASN164
|
4.7
|
51.8
|
1.0
|
CA
|
H:ASN164
|
4.7
|
54.4
|
1.0
|
N
|
H:ASP158
|
4.7
|
68.1
|
1.0
|
NE2
|
H:GLN19
|
4.8
|
59.6
|
1.0
|
C
|
H:ASP158
|
4.9
|
67.2
|
1.0
|
CA
|
H:ASP158
|
4.9
|
68.7
|
1.0
|
|
Magnesium binding site 9 out
of 12 in 1ofh
Go back to
Magnesium Binding Sites List in 1ofh
Magnesium binding site 9 out
of 12 in the Asymmetric Complex Between Hslv and I-Domain Deleted Hslu (H. Influenzae)
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 9 of Asymmetric Complex Between Hslv and I-Domain Deleted Hslu (H. Influenzae) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Mg454
b:49.8
occ:1.00
|
O
|
I:THR163
|
2.4
|
65.2
|
1.0
|
O
|
I:CYS160
|
2.5
|
56.9
|
1.0
|
O
|
I:GLY157
|
2.7
|
53.3
|
1.0
|
C
|
I:CYS160
|
3.6
|
57.7
|
1.0
|
C
|
I:THR163
|
3.6
|
65.4
|
1.0
|
C
|
I:GLY157
|
3.8
|
52.8
|
1.0
|
CA
|
I:VAL161
|
3.8
|
57.0
|
1.0
|
C
|
I:VAL161
|
4.1
|
56.4
|
1.0
|
N
|
I:VAL161
|
4.2
|
56.9
|
1.0
|
N
|
I:THR163
|
4.2
|
63.7
|
1.0
|
O
|
I:VAL161
|
4.3
|
56.2
|
1.0
|
CA
|
I:GLY157
|
4.4
|
52.0
|
1.0
|
CA
|
I:ASN164
|
4.5
|
56.5
|
1.0
|
N
|
I:ASN164
|
4.5
|
54.2
|
1.0
|
CA
|
I:THR163
|
4.5
|
64.0
|
1.0
|
NE2
|
I:GLN19
|
4.5
|
46.2
|
1.0
|
N
|
I:PHE162
|
4.7
|
51.4
|
1.0
|
CA
|
I:CYS160
|
4.8
|
57.8
|
1.0
|
N
|
I:CYS160
|
4.9
|
58.1
|
1.0
|
N
|
I:ASP158
|
4.9
|
62.4
|
1.0
|
CB
|
I:THR163
|
5.0
|
57.3
|
1.0
|
|
Magnesium binding site 10 out
of 12 in 1ofh
Go back to
Magnesium Binding Sites List in 1ofh
Magnesium binding site 10 out
of 12 in the Asymmetric Complex Between Hslv and I-Domain Deleted Hslu (H. Influenzae)
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 10 of Asymmetric Complex Between Hslv and I-Domain Deleted Hslu (H. Influenzae) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
L:Mg454
b:36.5
occ:1.00
|
O
|
L:CYS160
|
2.3
|
48.1
|
1.0
|
O
|
L:GLY157
|
2.4
|
55.7
|
1.0
|
O
|
L:THR163
|
2.4
|
66.2
|
1.0
|
C
|
L:CYS160
|
3.5
|
47.9
|
1.0
|
C
|
L:GLY157
|
3.6
|
55.3
|
1.0
|
C
|
L:THR163
|
3.6
|
65.8
|
1.0
|
CA
|
L:VAL161
|
3.9
|
53.8
|
1.0
|
N
|
L:VAL161
|
4.1
|
52.0
|
1.0
|
N
|
L:THR163
|
4.2
|
64.4
|
1.0
|
C
|
L:VAL161
|
4.2
|
53.5
|
1.0
|
CA
|
L:GLY157
|
4.3
|
54.2
|
1.0
|
CA
|
L:THR163
|
4.4
|
65.0
|
1.0
|
N
|
L:ASP158
|
4.6
|
59.3
|
1.0
|
O
|
L:VAL161
|
4.6
|
53.3
|
1.0
|
N
|
L:ASN164
|
4.6
|
63.8
|
1.0
|
N
|
L:PHE162
|
4.7
|
56.7
|
1.0
|
CA
|
L:CYS160
|
4.7
|
48.7
|
1.0
|
CA
|
L:ASN164
|
4.7
|
64.4
|
1.0
|
CA
|
L:ASP158
|
4.7
|
61.1
|
1.0
|
N
|
L:CYS160
|
4.7
|
48.4
|
1.0
|
CB
|
L:THR163
|
4.8
|
43.8
|
1.0
|
C
|
L:ASP158
|
4.8
|
60.5
|
1.0
|
|
Reference:
A.R.Kwon,
B.M.Kessler,
H.S.Overkleeft,
D.B.Mckay.
Structure and Reactivity of An Asymmetric Complex Between Hslv and I-Domain Deleted Hslu, A Prokaryotic Homolog of the Eukaryotic Proteasome J.Mol.Biol. V. 330 185 2003.
ISSN: ISSN 0022-2836
PubMed: 12823960
DOI: 10.1016/S0022-2836(03)00580-1
Page generated: Tue Aug 13 10:38:30 2024
|