Magnesium in PDB 2haw: Crystal Structure of Family II Inorganic Pyrophosphatase in Complex with Pnp
Enzymatic activity of Crystal Structure of Family II Inorganic Pyrophosphatase in Complex with Pnp
All present enzymatic activity of Crystal Structure of Family II Inorganic Pyrophosphatase in Complex with Pnp:
3.6.1.1;
Protein crystallography data
The structure of Crystal Structure of Family II Inorganic Pyrophosphatase in Complex with Pnp, PDB code: 2haw
was solved by
I.P.Fabrichniy,
L.Lehtio,
E.Oksanen,
A.Goldman,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
19.84 /
1.75
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
60.011,
115.867,
147.874,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
16.6 /
18.6
|
Other elements in 2haw:
The structure of Crystal Structure of Family II Inorganic Pyrophosphatase in Complex with Pnp also contains other interesting chemical elements:
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Crystal Structure of Family II Inorganic Pyrophosphatase in Complex with Pnp
(pdb code 2haw). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 8 binding sites of Magnesium where determined in the
Crystal Structure of Family II Inorganic Pyrophosphatase in Complex with Pnp, PDB code: 2haw:
Jump to Magnesium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Magnesium binding site 1 out
of 8 in 2haw
Go back to
Magnesium Binding Sites List in 2haw
Magnesium binding site 1 out
of 8 in the Crystal Structure of Family II Inorganic Pyrophosphatase in Complex with Pnp
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 Family II Inorganic Pyrophosphatase in Complex with Pnp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg1001
b:32.8
occ:1.00
|
O1
|
A:2PN2001
|
1.9
|
29.7
|
0.8
|
F
|
A:F3001
|
2.0
|
35.4
|
1.0
|
OD1
|
A:ASP75
|
2.1
|
38.5
|
1.0
|
OD1
|
A:ASP13
|
2.1
|
39.2
|
1.0
|
NE2
|
A:HIS9
|
2.3
|
35.4
|
1.0
|
OD2
|
A:ASP13
|
2.5
|
37.7
|
1.0
|
CG
|
A:ASP13
|
2.7
|
42.4
|
1.0
|
CG
|
A:ASP75
|
3.0
|
38.8
|
1.0
|
P1
|
A:2PN2001
|
3.1
|
34.3
|
0.8
|
OD2
|
A:ASP75
|
3.2
|
36.4
|
1.0
|
CE1
|
A:HIS9
|
3.3
|
38.5
|
1.0
|
CD2
|
A:HIS9
|
3.3
|
35.8
|
1.0
|
MG
|
A:MG1004
|
3.3
|
42.5
|
0.8
|
MG
|
A:MG1002
|
3.5
|
33.7
|
1.0
|
O3
|
A:2PN2001
|
3.5
|
32.5
|
0.8
|
O2
|
A:2PN2001
|
3.6
|
32.7
|
0.8
|
OG1
|
A:THR16
|
4.1
|
36.3
|
1.0
|
O
|
A:HOH6042
|
4.1
|
41.7
|
1.0
|
NZ
|
A:LYS205
|
4.1
|
38.2
|
1.0
|
O4
|
A:SO44003
|
4.2
|
28.6
|
0.1
|
CB
|
A:ASP13
|
4.2
|
39.3
|
1.0
|
ND1
|
A:HIS9
|
4.4
|
37.0
|
1.0
|
CB
|
A:ASP75
|
4.4
|
34.6
|
1.0
|
N
|
A:THR16
|
4.4
|
40.1
|
1.0
|
CB
|
A:ASP15
|
4.4
|
37.6
|
1.0
|
CG
|
A:HIS9
|
4.4
|
33.1
|
1.0
|
CB
|
A:THR16
|
4.4
|
35.5
|
1.0
|
O
|
A:ASP75
|
4.5
|
38.2
|
1.0
|
CE
|
A:LYS205
|
4.6
|
38.9
|
1.0
|
N1
|
A:2PN2001
|
4.6
|
30.5
|
0.8
|
CE1
|
A:HIS98
|
4.7
|
38.1
|
1.0
|
OD2
|
A:ASP15
|
4.7
|
40.5
|
1.0
|
O
|
A:HOH6007
|
4.8
|
37.4
|
1.0
|
OD1
|
A:ASP149
|
4.8
|
42.3
|
1.0
|
MG
|
A:MG1003
|
4.9
|
35.7
|
0.8
|
OD2
|
A:ASP149
|
5.0
|
42.2
|
1.0
|
NE2
|
A:HIS98
|
5.0
|
40.9
|
1.0
|
CA
|
A:THR16
|
5.0
|
37.0
|
1.0
|
|
Magnesium binding site 2 out
of 8 in 2haw
Go back to
Magnesium Binding Sites List in 2haw
Magnesium binding site 2 out
of 8 in the Crystal Structure of Family II Inorganic Pyrophosphatase in Complex with Pnp
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 Family II Inorganic Pyrophosphatase in Complex with Pnp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg1002
b:33.7
occ:1.00
|
O2
|
A:2PN2001
|
2.0
|
32.7
|
0.8
|
F
|
A:F3001
|
2.0
|
35.4
|
1.0
|
OD2
|
A:ASP149
|
2.1
|
42.2
|
1.0
|
OD2
|
A:ASP75
|
2.2
|
36.4
|
1.0
|
OD2
|
A:ASP15
|
2.2
|
40.5
|
1.0
|
NE2
|
A:HIS97
|
2.3
|
36.5
|
1.0
|
CE1
|
A:HIS97
|
3.0
|
41.1
|
1.0
|
CG
|
A:ASP149
|
3.2
|
45.2
|
1.0
|
CG
|
A:ASP75
|
3.2
|
38.8
|
1.0
|
CG
|
A:ASP15
|
3.2
|
42.4
|
1.0
|
P1
|
A:2PN2001
|
3.3
|
34.3
|
0.8
|
O1
|
A:2PN2001
|
3.4
|
29.7
|
0.8
|
CB
|
A:ASP15
|
3.5
|
37.6
|
1.0
|
CD2
|
A:HIS97
|
3.5
|
38.0
|
1.0
|
MG
|
A:MG1001
|
3.5
|
32.8
|
1.0
|
OD1
|
A:ASP149
|
3.5
|
42.3
|
1.0
|
OD1
|
A:ASP75
|
3.6
|
38.5
|
1.0
|
MG
|
A:MG1004
|
3.8
|
42.5
|
0.8
|
O3
|
A:2PN2001
|
4.0
|
32.5
|
0.8
|
OG1
|
A:THR119
|
4.1
|
38.9
|
1.0
|
CE1
|
A:HIS98
|
4.2
|
38.1
|
1.0
|
ND1
|
A:HIS97
|
4.2
|
39.3
|
1.0
|
O
|
A:HOH6031
|
4.3
|
38.1
|
1.0
|
O4
|
A:SO44003
|
4.4
|
28.6
|
0.1
|
OD1
|
A:ASP15
|
4.4
|
39.0
|
1.0
|
N
|
A:THR119
|
4.4
|
36.3
|
1.0
|
CB
|
A:ASP75
|
4.5
|
34.6
|
1.0
|
CB
|
A:ASP149
|
4.5
|
39.4
|
1.0
|
NZ
|
A:LYS296
|
4.5
|
41.4
|
1.0
|
CG
|
A:HIS97
|
4.5
|
34.3
|
1.0
|
CA
|
A:CYS118
|
4.7
|
38.6
|
1.0
|
NE2
|
A:HIS98
|
4.8
|
40.9
|
1.0
|
N1
|
A:2PN2001
|
4.8
|
30.5
|
0.8
|
OD1
|
A:ASP13
|
4.9
|
39.2
|
1.0
|
CA
|
A:ASP15
|
4.9
|
41.2
|
1.0
|
|
Magnesium binding site 3 out
of 8 in 2haw
Go back to
Magnesium Binding Sites List in 2haw
Magnesium binding site 3 out
of 8 in the Crystal Structure of Family II Inorganic Pyrophosphatase in Complex with Pnp
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 Family II Inorganic Pyrophosphatase in Complex with Pnp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg1003
b:35.7
occ:0.85
|
O3
|
A:2PN2001
|
1.9
|
32.5
|
0.8
|
O
|
A:HOH6042
|
2.0
|
41.7
|
1.0
|
O2
|
A:SO44003
|
2.1
|
29.4
|
0.1
|
O
|
A:HOH6119
|
2.1
|
37.7
|
1.0
|
O6
|
A:2PN2001
|
2.1
|
34.4
|
0.8
|
O
|
A:HOH6088
|
2.2
|
40.6
|
1.0
|
O
|
A:HOH6044
|
2.3
|
41.1
|
1.0
|
P1
|
A:2PN2001
|
3.2
|
34.3
|
0.8
|
S
|
A:SO44003
|
3.3
|
29.9
|
0.1
|
MG
|
A:MG1004
|
3.3
|
42.5
|
0.8
|
P2
|
A:2PN2001
|
3.4
|
33.1
|
0.8
|
N1
|
A:2PN2001
|
3.4
|
30.5
|
0.8
|
O4
|
A:SO44003
|
3.6
|
28.6
|
0.1
|
O
|
A:HOH6019
|
3.7
|
34.6
|
1.0
|
NH2
|
A:ARG295
|
3.8
|
38.9
|
1.0
|
O
|
A:HOH6031
|
3.9
|
38.1
|
1.0
|
OD1
|
A:ASP13
|
3.9
|
39.2
|
1.0
|
O
|
A:HOH6038
|
3.9
|
47.9
|
1.0
|
O3
|
A:SO44003
|
3.9
|
30.6
|
0.1
|
O1
|
A:2PN2001
|
4.0
|
29.7
|
0.8
|
OD2
|
A:ASP203
|
4.1
|
39.2
|
1.0
|
O5
|
A:2PN2001
|
4.2
|
31.7
|
0.8
|
OD1
|
A:ASP203
|
4.3
|
42.9
|
1.0
|
OE1
|
A:GLN218
|
4.4
|
41.3
|
1.0
|
O1
|
A:SO44003
|
4.4
|
30.0
|
0.1
|
O2
|
A:2PN2001
|
4.5
|
32.7
|
0.8
|
O4
|
A:2PN2001
|
4.6
|
33.2
|
0.8
|
O
|
A:HOH6054
|
4.6
|
47.9
|
1.0
|
O
|
A:HOH6074
|
4.6
|
47.2
|
1.0
|
CG
|
A:ASP203
|
4.7
|
41.9
|
1.0
|
CZ
|
A:ARG295
|
4.9
|
39.8
|
1.0
|
MG
|
A:MG1001
|
4.9
|
32.8
|
1.0
|
OD1
|
A:ASP149
|
4.9
|
42.3
|
1.0
|
F
|
A:F3001
|
5.0
|
35.4
|
1.0
|
O
|
A:HOH6093
|
5.0
|
50.3
|
1.0
|
|
Magnesium binding site 4 out
of 8 in 2haw
Go back to
Magnesium Binding Sites List in 2haw
Magnesium binding site 4 out
of 8 in the Crystal Structure of Family II Inorganic Pyrophosphatase in Complex with Pnp
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 Family II Inorganic Pyrophosphatase in Complex with Pnp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg1004
b:42.5
occ:0.85
|
OD1
|
A:ASP149
|
2.2
|
42.3
|
1.0
|
O3
|
A:2PN2001
|
2.2
|
32.5
|
0.8
|
F
|
A:F3001
|
2.4
|
35.4
|
1.0
|
O
|
A:HOH6044
|
2.5
|
41.1
|
1.0
|
O
|
A:HOH6007
|
2.5
|
37.4
|
1.0
|
OD1
|
A:ASP13
|
2.5
|
39.2
|
1.0
|
CG
|
A:ASP13
|
3.1
|
42.4
|
1.0
|
CG
|
A:ASP149
|
3.2
|
45.2
|
1.0
|
P1
|
A:2PN2001
|
3.3
|
34.3
|
0.8
|
MG
|
A:MG1001
|
3.3
|
32.8
|
1.0
|
MG
|
A:MG1003
|
3.3
|
35.7
|
0.8
|
O
|
A:HOH6042
|
3.6
|
41.7
|
1.0
|
OD2
|
A:ASP149
|
3.6
|
42.2
|
1.0
|
O1
|
A:2PN2001
|
3.6
|
29.7
|
0.8
|
O2
|
A:2PN2001
|
3.7
|
32.7
|
0.8
|
OD2
|
A:ASP13
|
3.7
|
37.7
|
1.0
|
MG
|
A:MG1002
|
3.8
|
33.7
|
1.0
|
CB
|
A:ASP13
|
3.9
|
39.3
|
1.0
|
O
|
A:HOH6031
|
3.9
|
38.1
|
1.0
|
CB
|
A:ASP15
|
4.1
|
37.6
|
1.0
|
O
|
A:HOH6088
|
4.2
|
40.6
|
1.0
|
CB
|
A:ASP149
|
4.3
|
39.4
|
1.0
|
CA
|
A:ASP149
|
4.4
|
39.2
|
1.0
|
O
|
A:HOH6074
|
4.4
|
47.2
|
1.0
|
OG
|
A:SER148
|
4.5
|
39.1
|
1.0
|
O
|
A:HOH6038
|
4.6
|
47.9
|
1.0
|
O4
|
A:SO44003
|
4.7
|
28.6
|
0.1
|
N
|
A:ASP15
|
4.7
|
37.1
|
1.0
|
N
|
A:ASP149
|
4.7
|
39.4
|
1.0
|
O2
|
A:SO44003
|
4.8
|
29.4
|
0.1
|
N1
|
A:2PN2001
|
4.9
|
30.5
|
0.8
|
OD1
|
A:ASP75
|
4.9
|
38.5
|
1.0
|
|
Magnesium binding site 5 out
of 8 in 2haw
Go back to
Magnesium Binding Sites List in 2haw
Magnesium binding site 5 out
of 8 in the Crystal Structure of Family II Inorganic Pyrophosphatase in Complex with Pnp
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 Family II Inorganic Pyrophosphatase in Complex with Pnp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg1005
b:27.4
occ:1.00
|
O1
|
B:2PN2002
|
1.9
|
23.7
|
0.8
|
F
|
B:F3002
|
2.0
|
27.8
|
1.0
|
OD1
|
B:ASP75
|
2.0
|
37.6
|
1.0
|
OD1
|
B:ASP13
|
2.2
|
36.0
|
1.0
|
NE2
|
B:HIS9
|
2.3
|
36.6
|
1.0
|
OD2
|
B:ASP13
|
2.5
|
37.5
|
1.0
|
CG
|
B:ASP13
|
2.7
|
39.7
|
1.0
|
CG
|
B:ASP75
|
3.0
|
39.3
|
1.0
|
P1
|
B:2PN2002
|
3.1
|
31.5
|
0.8
|
CD2
|
B:HIS9
|
3.2
|
36.2
|
1.0
|
OD2
|
B:ASP75
|
3.3
|
36.3
|
1.0
|
MG
|
B:MG1008
|
3.3
|
33.6
|
0.8
|
CE1
|
B:HIS9
|
3.3
|
35.5
|
1.0
|
MG
|
B:MG1006
|
3.4
|
27.1
|
1.0
|
O3
|
B:2PN2002
|
3.5
|
28.8
|
0.8
|
O2
|
B:2PN2002
|
3.8
|
26.9
|
0.8
|
OG1
|
B:THR16
|
4.0
|
38.0
|
1.0
|
O
|
B:HOH5135
|
4.1
|
32.3
|
1.0
|
CB
|
B:ASP13
|
4.2
|
38.6
|
1.0
|
NZ
|
B:LYS205
|
4.2
|
40.7
|
1.0
|
CB
|
B:ASP75
|
4.3
|
37.0
|
1.0
|
CB
|
B:THR16
|
4.4
|
36.6
|
1.0
|
N
|
B:THR16
|
4.4
|
36.8
|
1.0
|
CB
|
B:ASP15
|
4.4
|
36.5
|
1.0
|
CG
|
B:HIS9
|
4.4
|
34.2
|
1.0
|
ND1
|
B:HIS9
|
4.4
|
36.3
|
1.0
|
O
|
B:ASP75
|
4.5
|
37.4
|
1.0
|
N1
|
B:2PN2002
|
4.6
|
28.5
|
0.8
|
O2
|
B:SO44004
|
4.6
|
32.8
|
0.1
|
OD1
|
B:ASP15
|
4.6
|
38.4
|
1.0
|
CE
|
B:LYS205
|
4.7
|
37.2
|
1.0
|
OD1
|
B:ASP149
|
4.7
|
42.8
|
1.0
|
O
|
B:HOH5015
|
4.8
|
30.8
|
1.0
|
CE1
|
B:HIS98
|
4.8
|
38.3
|
1.0
|
CA
|
B:THR16
|
4.9
|
35.5
|
1.0
|
OD2
|
B:ASP149
|
5.0
|
41.2
|
1.0
|
MG
|
B:MG1007
|
5.0
|
32.2
|
0.8
|
N
|
B:ASP13
|
5.0
|
40.3
|
1.0
|
|
Magnesium binding site 6 out
of 8 in 2haw
Go back to
Magnesium Binding Sites List in 2haw
Magnesium binding site 6 out
of 8 in the Crystal Structure of Family II Inorganic Pyrophosphatase in Complex with Pnp
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 Family II Inorganic Pyrophosphatase in Complex with Pnp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg1006
b:27.1
occ:1.00
|
F
|
B:F3002
|
1.9
|
27.8
|
1.0
|
OD2
|
B:ASP75
|
2.1
|
36.3
|
1.0
|
O2
|
B:2PN2002
|
2.1
|
26.9
|
0.8
|
OD2
|
B:ASP149
|
2.2
|
41.2
|
1.0
|
OD1
|
B:ASP15
|
2.2
|
38.4
|
1.0
|
NE2
|
B:HIS97
|
2.3
|
38.4
|
1.0
|
CG
|
B:ASP75
|
3.1
|
39.3
|
1.0
|
CE1
|
B:HIS97
|
3.1
|
38.0
|
1.0
|
P1
|
B:2PN2002
|
3.2
|
31.5
|
0.8
|
CG
|
B:ASP149
|
3.2
|
40.4
|
1.0
|
CG
|
B:ASP15
|
3.3
|
40.5
|
1.0
|
MG
|
B:MG1005
|
3.4
|
27.4
|
1.0
|
OD1
|
B:ASP75
|
3.4
|
37.6
|
1.0
|
OD1
|
B:ASP149
|
3.5
|
42.8
|
1.0
|
CD2
|
B:HIS97
|
3.5
|
37.7
|
1.0
|
O1
|
B:2PN2002
|
3.5
|
23.7
|
0.8
|
CB
|
B:ASP15
|
3.5
|
36.5
|
1.0
|
MG
|
B:MG1008
|
3.8
|
33.6
|
0.8
|
O3
|
B:2PN2002
|
3.9
|
28.8
|
0.8
|
OG1
|
B:THR119
|
4.1
|
39.0
|
1.0
|
CE1
|
B:HIS98
|
4.2
|
38.3
|
1.0
|
CB
|
B:ASP75
|
4.3
|
37.0
|
1.0
|
ND1
|
B:HIS97
|
4.4
|
38.3
|
1.0
|
O
|
B:HOH5061
|
4.4
|
37.7
|
1.0
|
OD2
|
B:ASP15
|
4.4
|
38.8
|
1.0
|
N
|
B:THR119
|
4.4
|
37.1
|
1.0
|
N1
|
B:2PN2002
|
4.5
|
28.5
|
0.8
|
CG
|
B:HIS97
|
4.6
|
36.7
|
1.0
|
CB
|
B:ASP149
|
4.6
|
37.7
|
1.0
|
NZ
|
B:LYS296
|
4.6
|
44.0
|
1.0
|
O2
|
B:SO44004
|
4.7
|
32.8
|
0.1
|
NE2
|
B:HIS98
|
4.7
|
40.5
|
1.0
|
OD1
|
B:ASP13
|
4.8
|
36.0
|
1.0
|
CA
|
B:CYS118
|
4.8
|
38.4
|
1.0
|
OD2
|
B:ASP13
|
5.0
|
37.5
|
1.0
|
CA
|
B:ASP15
|
5.0
|
35.9
|
1.0
|
|
Magnesium binding site 7 out
of 8 in 2haw
Go back to
Magnesium Binding Sites List in 2haw
Magnesium binding site 7 out
of 8 in the Crystal Structure of Family II Inorganic Pyrophosphatase in Complex with Pnp
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 Family II Inorganic Pyrophosphatase in Complex with Pnp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg1007
b:32.2
occ:0.85
|
O3
|
B:2PN2002
|
2.0
|
28.8
|
0.8
|
O6
|
B:2PN2002
|
2.0
|
27.2
|
0.8
|
O
|
B:HOH5135
|
2.1
|
32.3
|
1.0
|
O
|
B:HOH5063
|
2.2
|
33.4
|
1.0
|
O
|
B:HOH5171
|
2.2
|
37.6
|
1.0
|
O
|
B:HOH5093
|
2.3
|
37.0
|
1.0
|
O3
|
B:SO44004
|
2.4
|
31.9
|
0.1
|
P1
|
B:2PN2002
|
3.2
|
31.5
|
0.8
|
P2
|
B:2PN2002
|
3.3
|
28.2
|
0.8
|
MG
|
B:MG1008
|
3.3
|
33.6
|
0.8
|
N1
|
B:2PN2002
|
3.5
|
28.5
|
0.8
|
S
|
B:SO44004
|
3.6
|
32.2
|
0.1
|
O2
|
B:SO44004
|
3.6
|
32.8
|
0.1
|
NH2
|
B:ARG295
|
3.7
|
38.5
|
1.0
|
O
|
B:HOH5048
|
3.8
|
32.9
|
1.0
|
O
|
B:HOH5061
|
3.8
|
37.7
|
1.0
|
OD1
|
B:ASP13
|
3.9
|
36.0
|
1.0
|
O
|
B:HOH5134
|
3.9
|
45.0
|
1.0
|
O1
|
B:2PN2002
|
4.0
|
23.7
|
0.8
|
OD2
|
B:ASP203
|
4.1
|
46.4
|
1.0
|
O5
|
B:2PN2002
|
4.1
|
28.1
|
0.8
|
OD1
|
B:ASP203
|
4.3
|
43.1
|
1.0
|
O4
|
B:2PN2002
|
4.4
|
29.9
|
0.8
|
O
|
B:HOH5124
|
4.5
|
42.2
|
1.0
|
O4
|
B:SO44004
|
4.5
|
31.4
|
0.1
|
OE1
|
B:GLN218
|
4.5
|
43.4
|
1.0
|
O
|
B:HOH5074
|
4.5
|
39.0
|
1.0
|
O2
|
B:2PN2002
|
4.5
|
26.9
|
0.8
|
O1
|
B:SO44004
|
4.5
|
32.4
|
0.1
|
CG
|
B:ASP203
|
4.6
|
44.6
|
1.0
|
CZ
|
B:ARG295
|
4.8
|
41.8
|
1.0
|
F
|
B:F3002
|
4.9
|
27.8
|
1.0
|
MG
|
B:MG1005
|
5.0
|
27.4
|
1.0
|
OD1
|
B:ASP149
|
5.0
|
42.8
|
1.0
|
|
Magnesium binding site 8 out
of 8 in 2haw
Go back to
Magnesium Binding Sites List in 2haw
Magnesium binding site 8 out
of 8 in the Crystal Structure of Family II Inorganic Pyrophosphatase in Complex with Pnp
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 Family II Inorganic Pyrophosphatase in Complex with Pnp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg1008
b:33.6
occ:0.85
|
O3
|
B:2PN2002
|
2.2
|
28.8
|
0.8
|
OD1
|
B:ASP149
|
2.3
|
42.8
|
1.0
|
O
|
B:HOH5093
|
2.3
|
37.0
|
1.0
|
F
|
B:F3002
|
2.3
|
27.8
|
1.0
|
OD1
|
B:ASP13
|
2.4
|
36.0
|
1.0
|
O
|
B:HOH5015
|
2.6
|
30.8
|
1.0
|
CG
|
B:ASP13
|
3.0
|
39.7
|
1.0
|
P1
|
B:2PN2002
|
3.2
|
31.5
|
0.8
|
MG
|
B:MG1005
|
3.3
|
27.4
|
1.0
|
CG
|
B:ASP149
|
3.3
|
40.4
|
1.0
|
MG
|
B:MG1007
|
3.3
|
32.2
|
0.8
|
O1
|
B:2PN2002
|
3.6
|
23.7
|
0.8
|
O
|
B:HOH5135
|
3.6
|
32.3
|
1.0
|
OD2
|
B:ASP13
|
3.7
|
37.5
|
1.0
|
OD2
|
B:ASP149
|
3.7
|
41.2
|
1.0
|
O2
|
B:2PN2002
|
3.7
|
26.9
|
0.8
|
CB
|
B:ASP13
|
3.8
|
38.6
|
1.0
|
O
|
B:HOH5061
|
3.8
|
37.7
|
1.0
|
MG
|
B:MG1006
|
3.8
|
27.1
|
1.0
|
O
|
B:HOH5074
|
4.2
|
39.0
|
1.0
|
O
|
B:HOH5171
|
4.2
|
37.6
|
1.0
|
CB
|
B:ASP15
|
4.3
|
36.5
|
1.0
|
CB
|
B:ASP149
|
4.5
|
37.7
|
1.0
|
CA
|
B:ASP149
|
4.5
|
40.3
|
1.0
|
O
|
B:HOH5134
|
4.5
|
45.0
|
1.0
|
OG
|
B:SER148
|
4.6
|
39.4
|
1.0
|
N1
|
B:2PN2002
|
4.7
|
28.5
|
0.8
|
N
|
B:ASP15
|
4.8
|
36.1
|
1.0
|
O2
|
B:SO44004
|
4.9
|
32.8
|
0.1
|
N
|
B:ASP149
|
4.9
|
37.7
|
1.0
|
OD1
|
B:ASP75
|
4.9
|
37.6
|
1.0
|
O6
|
B:2PN2002
|
5.0
|
27.2
|
0.8
|
|
Reference:
I.P.Fabrichniy,
L.Lehtio,
M.Tammenkoski,
A.B.Zyryanov,
E.Oksanen,
A.A.Baykov,
R.Lahti,
A.Goldman.
A Trimetal Site and Substrate Distortion in A Family II Inorganic Pyrophosphatase J.Biol.Chem. V. 282 1422 2007.
ISSN: ISSN 0021-9258
PubMed: 17095506
DOI: 10.1074/JBC.M513161200
Page generated: Tue Aug 13 23:44:18 2024
|