Magnesium in PDB 6rjb: Human Transketolase Variant T382E
Enzymatic activity of Human Transketolase Variant T382E
All present enzymatic activity of Human Transketolase Variant T382E:
2.2.1.1;
Protein crystallography data
The structure of Human Transketolase Variant T382E, PDB code: 6rjb
was solved by
F.Rabe Von Pappenheim,
K.Tittmann,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
72.81 /
1.15
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
73.000,
85.780,
92.790,
90.00,
94.15,
90.00
|
R / Rfree (%)
|
12.3 /
14.8
|
Other elements in 6rjb:
The structure of Human Transketolase Variant T382E also contains other interesting chemical elements:
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Human Transketolase Variant T382E
(pdb code 6rjb). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the
Human Transketolase Variant T382E, PDB code: 6rjb:
Jump to Magnesium binding site number:
1;
2;
Magnesium binding site 1 out
of 2 in 6rjb
Go back to
Magnesium Binding Sites List in 6rjb
Magnesium binding site 1 out
of 2 in the Human Transketolase Variant T382E
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Human Transketolase Variant T382E within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg702
b:11.0
occ:0.78
|
CA
|
A:CA703
|
0.3
|
10.2
|
0.2
|
O12
|
A:TDP701
|
2.0
|
9.9
|
1.0
|
O
|
A:LEU187
|
2.0
|
11.4
|
1.0
|
O21
|
A:TDP701
|
2.0
|
10.5
|
1.0
|
OD1
|
A:ASP155
|
2.1
|
10.2
|
1.0
|
OD1
|
A:ASN185
|
2.2
|
11.2
|
1.0
|
O
|
A:HOH964
|
2.3
|
11.0
|
1.0
|
HD21
|
A:ASN185
|
3.1
|
13.5
|
1.0
|
CG
|
A:ASN185
|
3.1
|
10.9
|
1.0
|
C
|
A:LEU187
|
3.2
|
11.5
|
1.0
|
P2
|
A:TDP701
|
3.2
|
9.9
|
1.0
|
H
|
A:ASP155
|
3.2
|
12.2
|
1.0
|
P1
|
A:TDP701
|
3.2
|
10.2
|
1.0
|
H
|
A:GLY156
|
3.3
|
12.3
|
1.0
|
CG
|
A:ASP155
|
3.3
|
10.7
|
1.0
|
HZ2
|
A:LYS244
|
3.4
|
13.3
|
1.0
|
O11
|
A:TDP701
|
3.4
|
10.1
|
1.0
|
H
|
A:LEU187
|
3.5
|
12.9
|
1.0
|
ND2
|
A:ASN185
|
3.5
|
11.2
|
1.0
|
HA2
|
A:GLY188
|
3.5
|
12.2
|
1.0
|
O22
|
A:TDP701
|
3.7
|
11.2
|
1.0
|
HD2
|
A:LYS244
|
3.8
|
14.1
|
1.0
|
H
|
A:ASN185
|
3.9
|
12.5
|
1.0
|
OD2
|
A:ASP155
|
3.9
|
12.2
|
1.0
|
N
|
A:LEU187
|
4.0
|
10.8
|
1.0
|
N
|
A:ASP155
|
4.0
|
10.1
|
1.0
|
O5G
|
A:TDP701
|
4.0
|
11.1
|
1.0
|
N
|
A:GLY188
|
4.1
|
10.5
|
1.0
|
N
|
A:GLY156
|
4.1
|
10.2
|
1.0
|
CA
|
A:LEU187
|
4.2
|
10.8
|
1.0
|
CA
|
A:GLY188
|
4.2
|
10.2
|
1.0
|
NZ
|
A:LYS244
|
4.2
|
11.1
|
1.0
|
HD22
|
A:ASN185
|
4.3
|
13.5
|
1.0
|
O13
|
A:TDP701
|
4.4
|
10.7
|
1.0
|
HB2
|
A:LEU187
|
4.4
|
14.3
|
1.0
|
O23
|
A:TDP701
|
4.4
|
10.5
|
1.0
|
CB
|
A:ASP155
|
4.4
|
10.2
|
1.0
|
O
|
A:ASP183
|
4.5
|
10.7
|
1.0
|
CB
|
A:ASN185
|
4.5
|
11.2
|
1.0
|
HB2
|
A:ALA193
|
4.5
|
15.7
|
1.0
|
CA
|
A:ASP155
|
4.6
|
10.2
|
1.0
|
HZ1
|
A:LYS244
|
4.6
|
13.3
|
1.0
|
N
|
A:ASN185
|
4.7
|
10.4
|
1.0
|
HA3
|
A:GLY154
|
4.7
|
12.2
|
1.0
|
HZ3
|
A:LYS244
|
4.7
|
13.3
|
1.0
|
CD
|
A:LYS244
|
4.7
|
11.7
|
1.0
|
C
|
A:ASN185
|
4.7
|
11.0
|
1.0
|
H
|
A:ARG186
|
4.7
|
13.3
|
1.0
|
N
|
A:ARG186
|
4.8
|
11.1
|
1.0
|
HA3
|
A:GLY156
|
4.8
|
12.7
|
1.0
|
HA2
|
A:GLY154
|
4.8
|
12.2
|
1.0
|
CA
|
A:ASN185
|
4.8
|
10.4
|
1.0
|
C
|
A:ASP155
|
4.8
|
10.2
|
1.0
|
H
|
A:GLY188
|
4.9
|
12.6
|
1.0
|
CB
|
A:LEU187
|
4.9
|
11.9
|
1.0
|
HB3
|
A:ASP155
|
4.9
|
12.3
|
1.0
|
HA3
|
A:GLY188
|
4.9
|
12.2
|
1.0
|
CE
|
A:LYS244
|
4.9
|
11.3
|
1.0
|
HE3
|
A:LYS244
|
4.9
|
13.5
|
1.0
|
HA
|
A:LEU187
|
4.9
|
13.0
|
1.0
|
C
|
A:ARG186
|
5.0
|
11.4
|
1.0
|
HB3
|
A:ASN185
|
5.0
|
13.4
|
1.0
|
|
Magnesium binding site 2 out
of 2 in 6rjb
Go back to
Magnesium Binding Sites List in 6rjb
Magnesium binding site 2 out
of 2 in the Human Transketolase Variant T382E
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Human Transketolase Variant T382E within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg702
b:10.7
occ:0.74
|
CA
|
B:CA703
|
0.3
|
10.2
|
0.3
|
OD1
|
B:ASP155
|
2.0
|
10.7
|
1.0
|
O
|
B:LEU187
|
2.0
|
10.7
|
1.0
|
OD1
|
B:ASN185
|
2.1
|
11.2
|
1.0
|
O13
|
B:TDP701
|
2.1
|
10.3
|
1.0
|
O23
|
B:TDP701
|
2.2
|
10.4
|
1.0
|
O
|
B:HOH948
|
2.3
|
10.8
|
1.0
|
CG
|
B:ASN185
|
3.1
|
10.9
|
1.0
|
HD21
|
B:ASN185
|
3.1
|
13.1
|
1.0
|
CG
|
B:ASP155
|
3.2
|
10.6
|
1.0
|
C
|
B:LEU187
|
3.2
|
10.2
|
1.0
|
H
|
B:ASP155
|
3.2
|
12.3
|
1.0
|
H
|
B:GLY156
|
3.3
|
12.1
|
1.0
|
P2
|
B:TDP701
|
3.3
|
10.2
|
1.0
|
P1
|
B:TDP701
|
3.3
|
10.0
|
1.0
|
H
|
B:LEU187
|
3.3
|
12.3
|
1.0
|
HZ2
|
B:LYS244
|
3.5
|
12.4
|
1.0
|
ND2
|
B:ASN185
|
3.5
|
10.9
|
1.0
|
O11
|
B:TDP701
|
3.6
|
10.2
|
1.0
|
HA2
|
B:GLY188
|
3.6
|
12.1
|
1.0
|
H
|
B:ASN185
|
3.8
|
12.3
|
1.0
|
OD2
|
B:ASP155
|
3.8
|
11.4
|
1.0
|
HD2
|
B:LYS244
|
3.8
|
13.3
|
1.0
|
O21
|
B:TDP701
|
3.8
|
11.7
|
1.0
|
N
|
B:LEU187
|
3.9
|
10.3
|
1.0
|
N
|
B:ASP155
|
4.0
|
10.2
|
1.0
|
CA
|
B:LEU187
|
4.1
|
10.1
|
1.0
|
N
|
B:GLY188
|
4.1
|
10.6
|
1.0
|
N
|
B:GLY156
|
4.1
|
10.1
|
1.0
|
O5G
|
B:TDP701
|
4.2
|
10.8
|
1.0
|
CA
|
B:GLY188
|
4.3
|
10.1
|
1.0
|
HD22
|
B:ASN185
|
4.3
|
13.1
|
1.0
|
CB
|
B:ASP155
|
4.3
|
10.2
|
1.0
|
NZ
|
B:LYS244
|
4.4
|
10.4
|
1.0
|
O
|
B:ASP183
|
4.4
|
11.0
|
1.0
|
HB2
|
B:LEU187
|
4.4
|
13.4
|
1.0
|
CB
|
B:ASN185
|
4.4
|
10.9
|
1.0
|
O12
|
B:TDP701
|
4.5
|
10.8
|
1.0
|
CA
|
B:ASP155
|
4.5
|
10.6
|
1.0
|
N
|
B:ASN185
|
4.5
|
10.3
|
1.0
|
HB2
|
B:ALA193
|
4.5
|
14.4
|
1.0
|
H
|
B:ARG186
|
4.5
|
12.7
|
1.0
|
C
|
B:ASN185
|
4.6
|
10.0
|
1.0
|
O22
|
B:TDP701
|
4.6
|
10.6
|
1.0
|
N
|
B:ARG186
|
4.6
|
10.6
|
1.0
|
HZ3
|
B:LYS244
|
4.7
|
12.4
|
1.0
|
CA
|
B:ASN185
|
4.7
|
10.4
|
1.0
|
CD
|
B:LYS244
|
4.7
|
11.1
|
1.0
|
HA3
|
B:GLY154
|
4.7
|
12.9
|
1.0
|
HB3
|
B:ASP155
|
4.8
|
12.3
|
1.0
|
HZ1
|
B:LYS244
|
4.8
|
12.4
|
1.0
|
C
|
B:ARG186
|
4.8
|
10.8
|
1.0
|
C
|
B:ASP155
|
4.8
|
10.1
|
1.0
|
CB
|
B:LEU187
|
4.8
|
11.2
|
1.0
|
HA
|
B:LEU187
|
4.8
|
12.2
|
1.0
|
HA2
|
B:GLY154
|
4.8
|
12.9
|
1.0
|
H
|
B:GLY188
|
4.9
|
12.7
|
1.0
|
HA3
|
B:GLY156
|
4.9
|
11.8
|
1.0
|
HB3
|
B:ASN185
|
4.9
|
13.1
|
1.0
|
HA3
|
B:GLY188
|
4.9
|
12.1
|
1.0
|
HB2
|
B:ASN185
|
5.0
|
13.1
|
1.0
|
CE
|
B:LYS244
|
5.0
|
11.3
|
1.0
|
O
|
B:ASN185
|
5.0
|
10.9
|
1.0
|
|
Reference:
S.Dai,
L.M.Funk,
F.R.Von Pappenheim,
V.Sautner,
M.Paulikat,
B.Schroder,
J.Uranga,
R.A.Mata,
K.Tittmann.
Low-Barrier Hydrogen Bonds in Enzyme Cooperativity. Nature V. 573 609 2019.
ISSN: ESSN 1476-4687
PubMed: 31534226
DOI: 10.1038/S41586-019-1581-9
Page generated: Tue Oct 1 17:01:50 2024
|