Potassium in PDB 6mgr: Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Campylobacter Jejuni in the Complex with Inhibitor Oxanosine Monophosphate
Enzymatic activity of Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Campylobacter Jejuni in the Complex with Inhibitor Oxanosine Monophosphate
All present enzymatic activity of Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Campylobacter Jejuni in the Complex with Inhibitor Oxanosine Monophosphate:
1.1.1.205;
Protein crystallography data
The structure of Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Campylobacter Jejuni in the Complex with Inhibitor Oxanosine Monophosphate, PDB code: 6mgr
was solved by
Y.Kim,
N.Maltseva,
R.Yu,
L.Hedstrom,
A.Joachimiak,
Center For Structuralgenomics Of Infectious Diseases (Csgid),
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
45.28 /
1.97
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
69.343,
119.592,
119.307,
90.00,
89.99,
90.00
|
R / Rfree (%)
|
17.3 /
20.2
|
Other elements in 6mgr:
The structure of Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Campylobacter Jejuni in the Complex with Inhibitor Oxanosine Monophosphate also contains other interesting chemical elements:
Potassium Binding Sites:
The binding sites of Potassium atom in the Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Campylobacter Jejuni in the Complex with Inhibitor Oxanosine Monophosphate
(pdb code 6mgr). This binding sites where shown within
5.0 Angstroms radius around Potassium atom.
In total 5 binding sites of Potassium where determined in the
Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Campylobacter Jejuni in the Complex with Inhibitor Oxanosine Monophosphate, PDB code: 6mgr:
Jump to Potassium binding site number:
1;
2;
3;
4;
5;
Potassium binding site 1 out
of 5 in 6mgr
Go back to
Potassium Binding Sites List in 6mgr
Potassium binding site 1 out
of 5 in the Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Campylobacter Jejuni in the Complex with Inhibitor Oxanosine Monophosphate
Mono view
Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 1 of Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Campylobacter Jejuni in the Complex with Inhibitor Oxanosine Monophosphate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:K509
b:53.5
occ:1.00
|
O
|
D:GLY298
|
2.7
|
52.2
|
1.0
|
O
|
A:GLU465
|
2.7
|
52.5
|
1.0
|
O
|
D:CYS301
|
2.8
|
55.1
|
1.0
|
O
|
A:SER466
|
2.8
|
55.4
|
1.0
|
O
|
A:HIS467
|
2.8
|
61.8
|
1.0
|
O
|
D:GLY296
|
2.9
|
46.9
|
1.0
|
C
|
A:SER466
|
3.3
|
58.2
|
1.0
|
O
|
D:HOH657
|
3.5
|
51.7
|
1.0
|
C
|
A:HIS467
|
3.6
|
62.6
|
1.0
|
C
|
D:CYS301
|
3.7
|
58.0
|
1.0
|
C
|
D:GLY298
|
3.8
|
54.1
|
1.0
|
C
|
A:GLU465
|
3.8
|
51.2
|
1.0
|
C
|
D:PRO297
|
3.9
|
54.1
|
1.0
|
CA
|
A:SER466
|
3.9
|
57.8
|
1.0
|
O
|
D:PRO297
|
3.9
|
56.8
|
1.0
|
CB
|
D:CYS301
|
3.9
|
58.8
|
1.0
|
C
|
D:GLY296
|
4.1
|
48.9
|
1.0
|
CD2
|
A:HIS469
|
4.1
|
55.5
|
1.0
|
N
|
D:GLY298
|
4.1
|
54.4
|
1.0
|
N
|
D:CYS301
|
4.1
|
53.6
|
1.0
|
N
|
A:HIS467
|
4.1
|
58.4
|
1.0
|
CA
|
D:CYS301
|
4.1
|
58.0
|
1.0
|
NE2
|
A:HIS469
|
4.3
|
54.9
|
1.0
|
N
|
A:SER466
|
4.3
|
54.1
|
1.0
|
CA
|
D:PRO297
|
4.4
|
49.0
|
1.0
|
CA
|
A:HIS467
|
4.4
|
61.5
|
1.0
|
N
|
A:VAL468
|
4.4
|
62.2
|
1.0
|
CA
|
D:GLY298
|
4.6
|
51.6
|
1.0
|
O
|
D:SER299
|
4.6
|
53.7
|
1.0
|
CA
|
A:VAL468
|
4.7
|
61.9
|
1.0
|
C
|
D:SER299
|
4.7
|
53.1
|
1.0
|
N
|
D:PRO297
|
4.7
|
44.9
|
1.0
|
N
|
D:SER299
|
4.8
|
51.6
|
1.0
|
N
|
D:THR302
|
4.9
|
56.2
|
1.0
|
SG
|
D:CYS301
|
4.9
|
61.5
|
1.0
|
CA
|
D:SER299
|
4.9
|
53.2
|
1.0
|
|
Potassium binding site 2 out
of 5 in 6mgr
Go back to
Potassium Binding Sites List in 6mgr
Potassium binding site 2 out
of 5 in the Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Campylobacter Jejuni in the Complex with Inhibitor Oxanosine Monophosphate
Mono view
Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 2 of Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Campylobacter Jejuni in the Complex with Inhibitor Oxanosine Monophosphate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:K501
b:51.9
occ:1.00
|
O
|
A:GLY298
|
2.7
|
53.1
|
1.0
|
O
|
B:HIS467
|
2.7
|
55.9
|
1.0
|
O
|
A:CYS301
|
2.7
|
55.7
|
1.0
|
O
|
B:SER466
|
2.7
|
57.5
|
1.0
|
O
|
B:GLU465
|
2.8
|
52.4
|
1.0
|
O
|
A:GLY296
|
2.9
|
48.4
|
1.0
|
C
|
B:SER466
|
3.3
|
58.2
|
1.0
|
O
|
A:HOH619
|
3.4
|
48.0
|
1.0
|
C
|
B:HIS467
|
3.6
|
56.5
|
1.0
|
C
|
A:CYS301
|
3.7
|
57.5
|
1.0
|
C
|
A:GLY298
|
3.8
|
53.2
|
1.0
|
C
|
B:GLU465
|
3.9
|
52.3
|
1.0
|
C
|
A:PRO297
|
3.9
|
56.7
|
1.0
|
CA
|
B:SER466
|
3.9
|
56.9
|
1.0
|
O
|
A:PRO297
|
4.0
|
54.6
|
1.0
|
CD2
|
B:HIS469
|
4.0
|
58.9
|
1.0
|
CB
|
A:CYS301
|
4.0
|
59.9
|
1.0
|
C
|
A:GLY296
|
4.1
|
52.3
|
1.0
|
N
|
B:HIS467
|
4.1
|
55.3
|
1.0
|
N
|
A:GLY298
|
4.1
|
57.5
|
1.0
|
N
|
A:CYS301
|
4.1
|
54.3
|
1.0
|
CA
|
A:CYS301
|
4.2
|
56.2
|
1.0
|
NE2
|
B:HIS469
|
4.2
|
57.3
|
1.0
|
N
|
B:SER466
|
4.3
|
52.1
|
1.0
|
CA
|
B:HIS467
|
4.3
|
58.3
|
1.0
|
CA
|
A:PRO297
|
4.4
|
54.9
|
1.0
|
N
|
B:VAL468
|
4.4
|
55.6
|
1.0
|
CA
|
A:GLY298
|
4.6
|
57.1
|
1.0
|
O
|
A:SER299
|
4.6
|
50.1
|
1.0
|
CA
|
B:VAL468
|
4.6
|
58.9
|
1.0
|
N
|
A:PRO297
|
4.7
|
50.2
|
1.0
|
C
|
A:SER299
|
4.7
|
53.4
|
1.0
|
N
|
A:SER299
|
4.8
|
50.0
|
1.0
|
N
|
A:THR302
|
4.8
|
53.3
|
1.0
|
SG
|
A:CYS301
|
4.9
|
62.6
|
1.0
|
CA
|
A:SER299
|
5.0
|
53.7
|
1.0
|
|
Potassium binding site 3 out
of 5 in 6mgr
Go back to
Potassium Binding Sites List in 6mgr
Potassium binding site 3 out
of 5 in the Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Campylobacter Jejuni in the Complex with Inhibitor Oxanosine Monophosphate
Mono view
Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 3 of Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Campylobacter Jejuni in the Complex with Inhibitor Oxanosine Monophosphate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:K508
b:0.8
occ:1.00
|
O
|
B:SER366
|
3.2
|
60.4
|
1.0
|
O
|
B:ASP364
|
3.3
|
63.1
|
1.0
|
O
|
B:GLY368
|
3.5
|
91.2
|
1.0
|
NZ
|
B:LYS379
|
3.9
|
71.8
|
1.0
|
N
|
B:GLY368
|
4.2
|
83.9
|
1.0
|
C
|
B:SER366
|
4.3
|
58.7
|
1.0
|
CA
|
B:PRO367
|
4.5
|
69.0
|
1.0
|
OE1
|
B:GLU369
|
4.5
|
85.3
|
0.4
|
C
|
B:ASP364
|
4.5
|
61.6
|
1.0
|
C
|
B:GLY368
|
4.5
|
89.2
|
1.0
|
C
|
B:PRO367
|
4.5
|
76.2
|
1.0
|
O
|
B:GLU365
|
4.6
|
59.8
|
1.0
|
C
|
B:GLU365
|
4.7
|
59.5
|
1.0
|
N
|
B:PRO367
|
4.8
|
62.2
|
1.0
|
|
Potassium binding site 4 out
of 5 in 6mgr
Go back to
Potassium Binding Sites List in 6mgr
Potassium binding site 4 out
of 5 in the Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Campylobacter Jejuni in the Complex with Inhibitor Oxanosine Monophosphate
Mono view
Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 4 of Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Campylobacter Jejuni in the Complex with Inhibitor Oxanosine Monophosphate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:K501
b:53.0
occ:1.00
|
O
|
B:GLY298
|
2.7
|
55.5
|
1.0
|
O
|
C:GLU465
|
2.7
|
52.4
|
1.0
|
O
|
C:HIS467
|
2.7
|
60.3
|
1.0
|
O
|
B:CYS301
|
2.8
|
56.8
|
1.0
|
O
|
C:SER466
|
2.8
|
58.4
|
1.0
|
O
|
B:GLY296
|
2.8
|
49.6
|
1.0
|
C
|
C:SER466
|
3.3
|
60.1
|
1.0
|
O
|
C:HOH649
|
3.5
|
51.9
|
1.0
|
C
|
C:HIS467
|
3.6
|
60.5
|
1.0
|
C
|
B:CYS301
|
3.7
|
57.5
|
1.0
|
O
|
B:PRO297
|
3.8
|
56.8
|
1.0
|
C
|
B:GLY298
|
3.8
|
54.0
|
1.0
|
C
|
C:GLU465
|
3.8
|
54.3
|
1.0
|
C
|
B:PRO297
|
3.8
|
54.5
|
1.0
|
CA
|
C:SER466
|
3.9
|
59.4
|
1.0
|
CB
|
B:CYS301
|
3.9
|
57.0
|
1.0
|
C
|
B:GLY296
|
4.0
|
50.0
|
1.0
|
CD2
|
C:HIS469
|
4.1
|
61.2
|
1.0
|
N
|
C:HIS467
|
4.1
|
59.7
|
1.0
|
N
|
B:CYS301
|
4.1
|
53.0
|
1.0
|
CA
|
B:CYS301
|
4.2
|
57.1
|
1.0
|
N
|
B:GLY298
|
4.2
|
52.7
|
1.0
|
NE2
|
C:HIS469
|
4.3
|
61.5
|
1.0
|
N
|
C:SER466
|
4.3
|
55.4
|
1.0
|
CA
|
B:PRO297
|
4.3
|
50.6
|
1.0
|
N
|
C:VAL468
|
4.4
|
60.0
|
1.0
|
CA
|
C:HIS467
|
4.4
|
60.2
|
1.0
|
CA
|
B:GLY298
|
4.6
|
54.5
|
1.0
|
O
|
B:SER299
|
4.6
|
56.0
|
1.0
|
CA
|
C:VAL468
|
4.6
|
60.2
|
1.0
|
N
|
B:PRO297
|
4.7
|
49.5
|
1.0
|
C
|
B:SER299
|
4.7
|
53.5
|
1.0
|
N
|
B:SER299
|
4.8
|
52.9
|
1.0
|
N
|
B:THR302
|
4.9
|
56.7
|
1.0
|
CA
|
B:SER299
|
4.9
|
53.5
|
1.0
|
SG
|
B:CYS301
|
4.9
|
59.2
|
1.0
|
|
Potassium binding site 5 out
of 5 in 6mgr
Go back to
Potassium Binding Sites List in 6mgr
Potassium binding site 5 out
of 5 in the Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Campylobacter Jejuni in the Complex with Inhibitor Oxanosine Monophosphate
Mono view
Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 5 of Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Campylobacter Jejuni in the Complex with Inhibitor Oxanosine Monophosphate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:K501
b:52.5
occ:1.00
|
O
|
C:GLY298
|
2.7
|
54.1
|
1.0
|
O
|
C:CYS301
|
2.8
|
56.1
|
1.0
|
O
|
D:SER466
|
2.8
|
54.2
|
1.0
|
O
|
D:HIS467
|
2.8
|
59.1
|
1.0
|
O
|
D:GLU465
|
2.8
|
52.8
|
1.0
|
O
|
C:GLY296
|
2.9
|
48.1
|
1.0
|
C
|
D:SER466
|
3.3
|
58.2
|
1.0
|
O
|
C:HOH640
|
3.4
|
47.0
|
1.0
|
C
|
D:HIS467
|
3.5
|
58.2
|
1.0
|
C
|
C:CYS301
|
3.7
|
58.9
|
1.0
|
CA
|
D:SER466
|
3.8
|
57.3
|
1.0
|
C
|
D:GLU465
|
3.9
|
51.2
|
1.0
|
C
|
C:GLY298
|
3.9
|
55.4
|
1.0
|
O
|
C:PRO297
|
3.9
|
54.2
|
1.0
|
C
|
C:PRO297
|
3.9
|
55.8
|
1.0
|
CB
|
C:CYS301
|
4.0
|
59.4
|
1.0
|
N
|
D:HIS467
|
4.0
|
57.2
|
1.0
|
CD2
|
D:HIS469
|
4.0
|
58.8
|
1.0
|
C
|
C:GLY296
|
4.1
|
49.2
|
1.0
|
N
|
C:CYS301
|
4.1
|
53.9
|
1.0
|
CA
|
C:CYS301
|
4.1
|
58.3
|
1.0
|
NE2
|
D:HIS469
|
4.2
|
58.7
|
1.0
|
N
|
C:GLY298
|
4.3
|
58.6
|
1.0
|
N
|
D:SER466
|
4.3
|
52.9
|
1.0
|
N
|
D:VAL468
|
4.3
|
58.0
|
1.0
|
CA
|
D:HIS467
|
4.3
|
59.3
|
1.0
|
CA
|
C:PRO297
|
4.4
|
51.7
|
1.0
|
CA
|
D:VAL468
|
4.6
|
59.1
|
1.0
|
O
|
C:SER299
|
4.6
|
57.2
|
1.0
|
CA
|
C:GLY298
|
4.6
|
57.4
|
1.0
|
N
|
C:PRO297
|
4.8
|
47.7
|
1.0
|
C
|
C:SER299
|
4.8
|
56.4
|
1.0
|
N
|
C:THR302
|
4.8
|
56.7
|
1.0
|
N
|
C:SER299
|
4.8
|
55.6
|
1.0
|
SG
|
C:CYS301
|
4.9
|
61.0
|
1.0
|
CA
|
C:SER299
|
5.0
|
56.2
|
1.0
|
|
Reference:
Y.Kim,
N.Maltseva,
R.Yu,
L.Hedstrom,
A.Joachimiak,
Center For Structural Genomics Of Infectious Diseases(Csgid).
Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Campylobacter Jejuni in the Complex with Inhibitor Oxanosine Monophosphate To Be Published.
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