Magnesium in PDB 5exe: Crystal Structure of Oxalate Oxidoreductase From Moorella Thermoacetica Bound with Carboxy-Tpp Adduct
Enzymatic activity of Crystal Structure of Oxalate Oxidoreductase From Moorella Thermoacetica Bound with Carboxy-Tpp Adduct
All present enzymatic activity of Crystal Structure of Oxalate Oxidoreductase From Moorella Thermoacetica Bound with Carboxy-Tpp Adduct:
1.2.7.10;
Protein crystallography data
The structure of Crystal Structure of Oxalate Oxidoreductase From Moorella Thermoacetica Bound with Carboxy-Tpp Adduct, PDB code: 5exe
was solved by
M.I.Gibson,
P.Y.-T.Chen,
C.L.Drennan,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
48.70 /
1.88
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
113.653,
144.131,
161.715,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
18.1 /
21.3
|
Other elements in 5exe:
The structure of Crystal Structure of Oxalate Oxidoreductase From Moorella Thermoacetica Bound with Carboxy-Tpp Adduct also contains other interesting chemical elements:
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Crystal Structure of Oxalate Oxidoreductase From Moorella Thermoacetica Bound with Carboxy-Tpp Adduct
(pdb code 5exe). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the
Crystal Structure of Oxalate Oxidoreductase From Moorella Thermoacetica Bound with Carboxy-Tpp Adduct, PDB code: 5exe:
Jump to Magnesium binding site number:
1;
2;
3;
Magnesium binding site 1 out
of 3 in 5exe
Go back to
Magnesium Binding Sites List in 5exe
Magnesium binding site 1 out
of 3 in the Crystal Structure of Oxalate Oxidoreductase From Moorella Thermoacetica Bound with Carboxy-Tpp Adduct
 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 Oxalate Oxidoreductase From Moorella Thermoacetica Bound with Carboxy-Tpp Adduct within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg403
b:13.2
occ:1.00
|
OD1
|
C:ASN138
|
2.0
|
19.2
|
1.0
|
O28
|
C:5SR402
|
2.1
|
16.0
|
1.0
|
OD1
|
C:ASP110
|
2.1
|
19.6
|
1.0
|
O27
|
C:5SR402
|
2.1
|
17.2
|
1.0
|
O
|
C:SER140
|
2.1
|
15.0
|
1.0
|
O
|
C:HOH608
|
2.3
|
16.2
|
1.0
|
CG
|
C:ASN138
|
3.0
|
15.7
|
1.0
|
CG
|
C:ASP110
|
3.0
|
19.2
|
1.0
|
P24
|
C:5SR402
|
3.2
|
16.1
|
1.0
|
P22
|
C:5SR402
|
3.3
|
18.1
|
1.0
|
C
|
C:SER140
|
3.3
|
19.9
|
1.0
|
OD2
|
C:ASP110
|
3.4
|
15.8
|
1.0
|
ND2
|
C:ASN138
|
3.4
|
16.8
|
1.0
|
O23
|
C:5SR402
|
3.5
|
13.0
|
1.0
|
O30
|
C:5SR402
|
3.8
|
16.1
|
1.0
|
N
|
C:ASP110
|
3.8
|
18.5
|
1.0
|
N
|
C:SER140
|
3.9
|
17.1
|
1.0
|
O21
|
C:5SR402
|
4.0
|
16.9
|
1.0
|
N
|
C:ALA142
|
4.1
|
16.9
|
1.0
|
N
|
C:TYR141
|
4.3
|
13.5
|
1.0
|
N
|
C:ASN138
|
4.3
|
16.2
|
1.0
|
CA
|
C:SER140
|
4.3
|
17.6
|
1.0
|
CB
|
C:ASP110
|
4.3
|
18.1
|
1.0
|
CB
|
C:ASN138
|
4.3
|
17.4
|
1.0
|
CA
|
C:TYR141
|
4.4
|
13.7
|
1.0
|
N
|
C:GLU139
|
4.5
|
16.6
|
1.0
|
C
|
C:ASN138
|
4.5
|
19.8
|
1.0
|
O29
|
C:5SR402
|
4.5
|
14.3
|
1.0
|
O25
|
C:5SR402
|
4.6
|
17.5
|
1.0
|
N
|
C:GLY111
|
4.6
|
15.0
|
1.0
|
CA
|
C:ASP110
|
4.6
|
16.2
|
1.0
|
CA
|
C:ASN138
|
4.6
|
18.4
|
1.0
|
CB
|
C:ALA142
|
4.6
|
17.5
|
1.0
|
CA
|
C:GLY109
|
4.6
|
14.2
|
1.0
|
C
|
C:GLY109
|
4.7
|
18.6
|
1.0
|
C
|
C:TYR141
|
4.8
|
16.2
|
1.0
|
OG
|
C:SER140
|
4.8
|
17.7
|
1.0
|
O
|
C:TYR136
|
4.9
|
14.8
|
1.0
|
|
Magnesium binding site 2 out
of 3 in 5exe
Go back to
Magnesium Binding Sites List in 5exe
Magnesium binding site 2 out
of 3 in the Crystal Structure of Oxalate Oxidoreductase From Moorella Thermoacetica Bound with Carboxy-Tpp Adduct
 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 Oxalate Oxidoreductase From Moorella Thermoacetica Bound with Carboxy-Tpp Adduct within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg404
b:33.7
occ:0.97
|
O
|
C:GLN213
|
2.1
|
27.7
|
1.0
|
O
|
C:HOH707
|
2.3
|
41.2
|
1.0
|
O
|
C:LEU211
|
2.3
|
22.7
|
1.0
|
OD1
|
C:ASP130
|
2.5
|
24.4
|
1.0
|
O
|
C:HOH566
|
2.5
|
34.9
|
1.0
|
O
|
C:HOH562
|
2.6
|
26.4
|
1.0
|
C
|
C:LEU211
|
3.3
|
24.9
|
1.0
|
C
|
C:GLN213
|
3.3
|
28.6
|
1.0
|
CG
|
C:ASP130
|
3.5
|
27.2
|
1.0
|
OD2
|
C:ASP130
|
3.8
|
31.7
|
1.0
|
CA
|
C:LEU211
|
3.9
|
24.2
|
1.0
|
O
|
C:GLY210
|
4.0
|
21.5
|
1.0
|
N
|
C:GLN213
|
4.0
|
25.0
|
1.0
|
CA
|
C:GLN213
|
4.2
|
25.1
|
1.0
|
O
|
C:GLY215
|
4.2
|
23.7
|
1.0
|
C
|
C:ASN212
|
4.3
|
27.9
|
1.0
|
N
|
C:GLU214
|
4.3
|
29.6
|
1.0
|
N
|
C:ASN212
|
4.3
|
22.5
|
1.0
|
CA
|
C:GLU214
|
4.4
|
33.8
|
1.0
|
N
|
C:GLY215
|
4.4
|
28.5
|
1.0
|
O
|
C:HOH811
|
4.5
|
55.5
|
1.0
|
O
|
C:HOH537
|
4.7
|
22.1
|
1.0
|
CA
|
C:ASN212
|
4.7
|
24.9
|
1.0
|
O
|
C:ASN212
|
4.7
|
28.9
|
1.0
|
CB
|
C:GLN213
|
4.7
|
27.0
|
1.0
|
C
|
C:GLY210
|
4.8
|
22.4
|
1.0
|
N
|
C:LEU211
|
4.9
|
19.8
|
1.0
|
CB
|
C:ASP130
|
4.9
|
24.8
|
1.0
|
CB
|
C:LEU211
|
4.9
|
22.9
|
1.0
|
C
|
C:ASP130
|
5.0
|
22.2
|
1.0
|
|
Magnesium binding site 3 out
of 3 in 5exe
Go back to
Magnesium Binding Sites List in 5exe
Magnesium binding site 3 out
of 3 in the Crystal Structure of Oxalate Oxidoreductase From Moorella Thermoacetica Bound with Carboxy-Tpp Adduct
 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 Oxalate Oxidoreductase From Moorella Thermoacetica Bound with Carboxy-Tpp Adduct within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Mg403
b:15.1
occ:1.00
|
O28
|
F:5SR402
|
1.9
|
19.8
|
1.0
|
OD1
|
F:ASP110
|
2.0
|
18.9
|
1.0
|
OD1
|
F:ASN138
|
2.1
|
17.6
|
1.0
|
O
|
F:SER140
|
2.1
|
19.6
|
1.0
|
O27
|
F:5SR402
|
2.1
|
16.4
|
1.0
|
O
|
F:HOH628
|
2.3
|
14.5
|
1.0
|
CG
|
F:ASN138
|
3.0
|
18.4
|
1.0
|
CG
|
F:ASP110
|
3.1
|
20.8
|
1.0
|
P24
|
F:5SR402
|
3.1
|
16.5
|
1.0
|
P22
|
F:5SR402
|
3.2
|
18.4
|
1.0
|
O23
|
F:5SR402
|
3.2
|
18.1
|
1.0
|
C
|
F:SER140
|
3.4
|
19.5
|
1.0
|
ND2
|
F:ASN138
|
3.4
|
13.6
|
1.0
|
OD2
|
F:ASP110
|
3.5
|
21.9
|
1.0
|
O30
|
F:5SR402
|
3.7
|
19.1
|
1.0
|
N
|
F:ASP110
|
3.9
|
17.0
|
1.0
|
O21
|
F:5SR402
|
4.0
|
20.3
|
1.0
|
N
|
F:SER140
|
4.0
|
17.2
|
1.0
|
N
|
F:ALA142
|
4.1
|
19.7
|
1.0
|
N
|
F:TYR141
|
4.2
|
20.0
|
1.0
|
N
|
F:ASN138
|
4.3
|
17.2
|
1.0
|
CA
|
F:TYR141
|
4.3
|
18.8
|
1.0
|
CB
|
F:ASP110
|
4.3
|
15.8
|
1.0
|
O29
|
F:5SR402
|
4.3
|
17.3
|
1.0
|
CA
|
F:SER140
|
4.3
|
18.8
|
1.0
|
CB
|
F:ASN138
|
4.4
|
15.4
|
1.0
|
O25
|
F:5SR402
|
4.5
|
19.1
|
1.0
|
N
|
F:GLY111
|
4.5
|
18.2
|
1.0
|
CB
|
F:ALA142
|
4.5
|
19.6
|
1.0
|
N
|
F:GLU139
|
4.5
|
17.9
|
1.0
|
CA
|
F:ASP110
|
4.6
|
22.2
|
1.0
|
C
|
F:ASN138
|
4.6
|
16.3
|
1.0
|
CA
|
F:GLY109
|
4.6
|
16.6
|
1.0
|
CA
|
F:ASN138
|
4.7
|
16.7
|
1.0
|
C
|
F:GLY109
|
4.7
|
19.9
|
1.0
|
C
|
F:TYR141
|
4.7
|
22.2
|
1.0
|
O
|
F:TYR136
|
4.8
|
17.7
|
1.0
|
OG
|
F:SER140
|
4.9
|
17.1
|
1.0
|
CA
|
F:ALA142
|
5.0
|
18.6
|
1.0
|
|
Reference:
M.I.Gibson,
P.Y.Chen,
A.C.Johnson,
E.Pierce,
M.Can,
S.W.Ragsdale,
C.L.Drennan.
One-Carbon Chemistry of Oxalate Oxidoreductase Captured By X-Ray Crystallography. Proc.Natl.Acad.Sci.Usa V. 113 320 2016.
ISSN: ESSN 1091-6490
PubMed: 26712008
DOI: 10.1073/PNAS.1518537113
Page generated: Sun Sep 29 04:00:13 2024
|