Magnesium in PDB 9b0u: Cryo-Em Structure of E227Q Variant of UMTCK1 Incubated with Adp and Phosphocreatine at pH 8.0
Enzymatic activity of Cryo-Em Structure of E227Q Variant of UMTCK1 Incubated with Adp and Phosphocreatine at pH 8.0
All present enzymatic activity of Cryo-Em Structure of E227Q Variant of UMTCK1 Incubated with Adp and Phosphocreatine at pH 8.0:
2.7.3.2;
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Cryo-Em Structure of E227Q Variant of UMTCK1 Incubated with Adp and Phosphocreatine at pH 8.0
(pdb code 9b0u). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 8 binding sites of Magnesium where determined in the
Cryo-Em Structure of E227Q Variant of UMTCK1 Incubated with Adp and Phosphocreatine at pH 8.0, PDB code: 9b0u:
Jump to Magnesium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Magnesium binding site 1 out
of 8 in 9b0u
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Magnesium Binding Sites List in 9b0u
Magnesium binding site 1 out
of 8 in the Cryo-Em Structure of E227Q Variant of UMTCK1 Incubated with Adp and Phosphocreatine at pH 8.0
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Cryo-Em Structure of E227Q Variant of UMTCK1 Incubated with Adp and Phosphocreatine at pH 8.0 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg404
b:147.7
occ:1.00
|
O2A
|
A:ADP402
|
1.7
|
149.6
|
1.0
|
|
O4
|
A:PO4403
|
1.8
|
157.8
|
1.0
|
|
O3B
|
A:ADP402
|
1.9
|
154.2
|
1.0
|
|
PA
|
A:ADP402
|
2.9
|
145.6
|
1.0
|
|
PB
|
A:ADP402
|
3.1
|
157.3
|
1.0
|
|
HH12
|
A:ARG315
|
3.1
|
152.7
|
1.0
|
|
P
|
A:PO4403
|
3.4
|
171.0
|
1.0
|
|
O3A
|
A:ADP402
|
3.5
|
149.4
|
1.0
|
|
O1B
|
A:ADP402
|
3.6
|
159.7
|
1.0
|
|
O1A
|
A:ADP402
|
3.6
|
148.0
|
1.0
|
|
HH12
|
A:ARG231
|
3.8
|
124.7
|
1.0
|
|
NH1
|
A:ARG315
|
3.8
|
154.4
|
1.0
|
|
HH11
|
A:ARG315
|
3.9
|
152.6
|
1.0
|
|
H5'2
|
A:ADP402
|
4.0
|
140.2
|
1.0
|
|
O3
|
A:PO4403
|
4.0
|
164.0
|
1.0
|
|
HG11
|
A:VAL320
|
4.1
|
157.0
|
1.0
|
|
O2
|
A:PO4403
|
4.1
|
159.1
|
1.0
|
|
OE1
|
A:GLN227
|
4.2
|
133.9
|
1.0
|
|
O5'
|
A:ADP402
|
4.2
|
142.8
|
1.0
|
|
HH21
|
A:ARG127
|
4.3
|
135.7
|
1.0
|
|
HG12
|
A:VAL320
|
4.3
|
158.8
|
1.0
|
|
O1
|
A:PO4403
|
4.3
|
149.8
|
1.0
|
|
HB
|
A:VAL320
|
4.4
|
156.1
|
1.0
|
|
O2B
|
A:ADP402
|
4.4
|
141.2
|
1.0
|
|
C5'
|
A:ADP402
|
4.4
|
139.8
|
1.0
|
|
H5'1
|
A:ADP402
|
4.5
|
142.2
|
1.0
|
|
HH22
|
A:ARG231
|
4.5
|
126.6
|
1.0
|
|
HE22
|
A:GLN227
|
4.5
|
133.7
|
1.0
|
|
NH1
|
A:ARG231
|
4.6
|
124.0
|
1.0
|
|
CG1
|
A:VAL320
|
4.6
|
157.1
|
1.0
|
|
H
|
A:VAL320
|
4.7
|
160.6
|
1.0
|
|
HZ3
|
A:TRP223
|
4.9
|
121.5
|
1.0
|
|
CD
|
A:GLN227
|
4.9
|
133.2
|
1.0
|
|
HH22
|
A:ARG315
|
4.9
|
152.8
|
1.0
|
|
Magnesium binding site 2 out
of 8 in 9b0u
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Magnesium Binding Sites List in 9b0u
Magnesium binding site 2 out
of 8 in the Cryo-Em Structure of E227Q Variant of UMTCK1 Incubated with Adp and Phosphocreatine at pH 8.0
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Cryo-Em Structure of E227Q Variant of UMTCK1 Incubated with Adp and Phosphocreatine at pH 8.0 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg404
b:145.2
occ:1.00
|
O2A
|
B:ADP402
|
1.9
|
148.3
|
1.0
|
|
O3B
|
B:ADP402
|
2.2
|
156.0
|
1.0
|
|
O3
|
B:PO4403
|
2.3
|
157.3
|
1.0
|
|
PA
|
B:ADP402
|
3.2
|
142.9
|
1.0
|
|
PB
|
B:ADP402
|
3.6
|
157.3
|
1.0
|
|
HH12
|
B:ARG231
|
3.6
|
125.0
|
1.0
|
|
OE1
|
B:GLN227
|
3.6
|
134.8
|
1.0
|
|
O3A
|
B:ADP402
|
3.7
|
145.9
|
1.0
|
|
P
|
B:PO4403
|
3.9
|
174.4
|
1.0
|
|
O1A
|
B:ADP402
|
4.0
|
142.7
|
1.0
|
|
HH12
|
B:ARG315
|
4.0
|
152.9
|
1.0
|
|
H5'2
|
B:ADP402
|
4.1
|
139.4
|
1.0
|
|
HG11
|
B:VAL320
|
4.2
|
157.3
|
1.0
|
|
H5'1
|
B:ADP402
|
4.3
|
141.0
|
1.0
|
|
O5'
|
B:ADP402
|
4.4
|
142.5
|
1.0
|
|
HE22
|
B:GLN227
|
4.4
|
134.4
|
1.0
|
|
NH1
|
B:ARG231
|
4.4
|
124.6
|
1.0
|
|
HZ3
|
B:TRP223
|
4.4
|
121.2
|
1.0
|
|
C5'
|
B:ADP402
|
4.5
|
140.0
|
1.0
|
|
CD
|
B:GLN227
|
4.5
|
134.1
|
1.0
|
|
O1B
|
B:ADP402
|
4.5
|
157.7
|
1.0
|
|
HH22
|
B:ARG231
|
4.5
|
127.2
|
1.0
|
|
HG12
|
B:VAL320
|
4.5
|
158.1
|
1.0
|
|
O2
|
B:PO4403
|
4.6
|
163.8
|
1.0
|
|
OE2
|
B:GLU226
|
4.6
|
137.4
|
1.0
|
|
HH11
|
B:ARG315
|
4.6
|
153.1
|
1.0
|
|
O2B
|
B:ADP402
|
4.6
|
140.2
|
1.0
|
|
NH1
|
B:ARG315
|
4.6
|
154.6
|
1.0
|
|
O1
|
B:PO4403
|
4.7
|
146.1
|
1.0
|
|
O4
|
B:PO4403
|
4.7
|
168.8
|
1.0
|
|
NE2
|
B:GLN227
|
4.8
|
136.0
|
1.0
|
|
HB
|
B:VAL320
|
4.8
|
154.6
|
1.0
|
|
CG1
|
B:VAL320
|
4.8
|
157.7
|
1.0
|
|
HH11
|
B:ARG231
|
4.8
|
120.9
|
1.0
|
|
H
|
B:VAL320
|
5.0
|
157.1
|
1.0
|
|
HH21
|
B:ARG127
|
5.0
|
132.9
|
1.0
|
|
Magnesium binding site 3 out
of 8 in 9b0u
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Magnesium Binding Sites List in 9b0u
Magnesium binding site 3 out
of 8 in the Cryo-Em Structure of E227Q Variant of UMTCK1 Incubated with Adp and Phosphocreatine at pH 8.0
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of Cryo-Em Structure of E227Q Variant of UMTCK1 Incubated with Adp and Phosphocreatine at pH 8.0 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg404
b:146.2
occ:1.00
|
O3B
|
C:ADP401
|
1.9
|
156.3
|
1.0
|
|
O2A
|
C:ADP401
|
2.0
|
146.1
|
1.0
|
|
O1
|
C:PO4402
|
2.1
|
161.1
|
1.0
|
|
P
|
C:PO4402
|
3.0
|
172.9
|
1.0
|
|
O2
|
C:PO4402
|
3.2
|
167.4
|
1.0
|
|
PA
|
C:ADP401
|
3.2
|
142.4
|
1.0
|
|
HH12
|
C:ARG315
|
3.2
|
152.7
|
1.0
|
|
PB
|
C:ADP401
|
3.2
|
157.9
|
1.0
|
|
O4
|
C:PO4402
|
3.5
|
169.6
|
1.0
|
|
O3A
|
C:ADP401
|
3.7
|
146.1
|
1.0
|
|
HH12
|
C:ARG231
|
3.7
|
126.1
|
1.0
|
|
O1B
|
C:ADP401
|
3.8
|
157.8
|
1.0
|
|
O1A
|
C:ADP401
|
3.8
|
146.3
|
1.0
|
|
NH1
|
C:ARG315
|
3.9
|
154.8
|
1.0
|
|
OE1
|
C:GLN227
|
4.0
|
136.5
|
1.0
|
|
HH11
|
C:ARG315
|
4.0
|
152.4
|
1.0
|
|
HG11
|
C:VAL320
|
4.0
|
156.6
|
1.0
|
|
H5'2
|
C:ADP401
|
4.2
|
139.7
|
1.0
|
|
HH21
|
C:ARG127
|
4.3
|
132.9
|
1.0
|
|
HE22
|
C:GLN227
|
4.3
|
134.7
|
1.0
|
|
HG12
|
C:VAL320
|
4.3
|
159.1
|
1.0
|
|
O2B
|
C:ADP401
|
4.4
|
140.6
|
1.0
|
|
HB
|
C:VAL320
|
4.4
|
155.9
|
1.0
|
|
O3
|
C:PO4402
|
4.5
|
148.2
|
1.0
|
|
O5'
|
C:ADP401
|
4.5
|
142.3
|
1.0
|
|
NH1
|
C:ARG231
|
4.5
|
125.9
|
1.0
|
|
HH22
|
C:ARG231
|
4.6
|
128.0
|
1.0
|
|
CG1
|
C:VAL320
|
4.6
|
157.1
|
1.0
|
|
C5'
|
C:ADP401
|
4.7
|
139.6
|
1.0
|
|
CD
|
C:GLN227
|
4.7
|
135.2
|
1.0
|
|
H5'1
|
C:ADP401
|
4.7
|
142.2
|
1.0
|
|
NE2
|
C:GLN227
|
4.8
|
136.4
|
1.0
|
|
H
|
C:VAL320
|
4.9
|
160.8
|
1.0
|
|
HH11
|
C:ARG231
|
4.9
|
121.9
|
1.0
|
|
HH22
|
C:ARG315
|
4.9
|
152.3
|
1.0
|
|
Magnesium binding site 4 out
of 8 in 9b0u
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Magnesium Binding Sites List in 9b0u
Magnesium binding site 4 out
of 8 in the Cryo-Em Structure of E227Q Variant of UMTCK1 Incubated with Adp and Phosphocreatine at pH 8.0
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of Cryo-Em Structure of E227Q Variant of UMTCK1 Incubated with Adp and Phosphocreatine at pH 8.0 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg404
b:140.0
occ:1.00
|
O2A
|
D:ADP402
|
2.2
|
144.5
|
1.0
|
|
O3B
|
D:ADP402
|
2.2
|
151.2
|
1.0
|
|
O3
|
D:PO4403
|
2.3
|
152.7
|
1.0
|
|
OE1
|
D:GLN227
|
3.3
|
132.4
|
1.0
|
|
HH12
|
D:ARG231
|
3.4
|
124.9
|
1.0
|
|
PA
|
D:ADP402
|
3.6
|
144.3
|
1.0
|
|
PB
|
D:ADP402
|
3.7
|
155.9
|
1.0
|
|
P
|
D:PO4403
|
3.8
|
168.8
|
1.0
|
|
HE22
|
D:GLN227
|
4.0
|
132.6
|
1.0
|
|
HH12
|
D:ARG315
|
4.0
|
152.1
|
1.0
|
|
CD
|
D:GLN227
|
4.1
|
132.7
|
1.0
|
|
H5'2
|
D:ADP402
|
4.2
|
139.1
|
1.0
|
|
O3A
|
D:ADP402
|
4.2
|
147.3
|
1.0
|
|
HH22
|
D:ARG231
|
4.2
|
126.4
|
1.0
|
|
NH1
|
D:ARG231
|
4.3
|
124.7
|
1.0
|
|
O1B
|
D:ADP402
|
4.3
|
158.8
|
1.0
|
|
HG12
|
D:VAL320
|
4.3
|
159.6
|
1.0
|
|
HG11
|
D:VAL320
|
4.4
|
157.8
|
1.0
|
|
O2
|
D:PO4403
|
4.4
|
164.7
|
1.0
|
|
NE2
|
D:GLN227
|
4.4
|
134.2
|
1.0
|
|
O1
|
D:PO4403
|
4.4
|
149.5
|
1.0
|
|
O1A
|
D:ADP402
|
4.4
|
148.6
|
1.0
|
|
OE2
|
D:GLU226
|
4.5
|
137.3
|
1.0
|
|
HZ3
|
D:TRP223
|
4.6
|
120.7
|
1.0
|
|
H5'1
|
D:ADP402
|
4.6
|
141.3
|
1.0
|
|
NH1
|
D:ARG315
|
4.7
|
154.2
|
1.0
|
|
HH11
|
D:ARG231
|
4.7
|
121.0
|
1.0
|
|
HH11
|
D:ARG315
|
4.7
|
152.6
|
1.0
|
|
C5'
|
D:ADP402
|
4.7
|
139.0
|
1.0
|
|
O5'
|
D:ADP402
|
4.7
|
141.8
|
1.0
|
|
O2B
|
D:ADP402
|
4.8
|
138.7
|
1.0
|
|
CG1
|
D:VAL320
|
4.8
|
158.3
|
1.0
|
|
O4
|
D:PO4403
|
4.8
|
157.5
|
1.0
|
|
N6
|
D:CRN401
|
4.9
|
152.4
|
1.0
|
|
NH2
|
D:ARG231
|
4.9
|
127.7
|
1.0
|
|
Magnesium binding site 5 out
of 8 in 9b0u
Go back to
Magnesium Binding Sites List in 9b0u
Magnesium binding site 5 out
of 8 in the Cryo-Em Structure of E227Q Variant of UMTCK1 Incubated with Adp and Phosphocreatine at pH 8.0
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 5 of Cryo-Em Structure of E227Q Variant of UMTCK1 Incubated with Adp and Phosphocreatine at pH 8.0 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Mg404
b:148.8
occ:1.00
|
O3
|
E:PO4403
|
1.8
|
161.1
|
1.0
|
|
O3B
|
E:ADP402
|
2.0
|
158.0
|
1.0
|
|
O2A
|
E:ADP402
|
2.1
|
151.5
|
1.0
|
|
O1B
|
E:ADP402
|
2.8
|
168.5
|
1.0
|
|
PB
|
E:ADP402
|
2.8
|
162.1
|
1.0
|
|
PA
|
E:ADP402
|
3.2
|
146.7
|
1.0
|
|
P
|
E:PO4403
|
3.4
|
171.1
|
1.0
|
|
HH12
|
E:ARG231
|
3.4
|
125.4
|
1.0
|
|
HH12
|
E:ARG315
|
3.4
|
154.5
|
1.0
|
|
O3A
|
E:ADP402
|
3.5
|
145.1
|
1.0
|
|
OE1
|
E:GLN227
|
3.8
|
133.9
|
1.0
|
|
O1A
|
E:ADP402
|
4.0
|
147.0
|
1.0
|
|
O4
|
E:PO4403
|
4.0
|
157.1
|
1.0
|
|
NH1
|
E:ARG315
|
4.1
|
156.3
|
1.0
|
|
HH11
|
E:ARG315
|
4.1
|
154.0
|
1.0
|
|
O1
|
E:PO4403
|
4.2
|
152.9
|
1.0
|
|
NH1
|
E:ARG231
|
4.2
|
125.2
|
1.0
|
|
O2B
|
E:ADP402
|
4.2
|
143.4
|
1.0
|
|
HE22
|
E:GLN227
|
4.3
|
133.9
|
1.0
|
|
O2
|
E:PO4403
|
4.3
|
161.2
|
1.0
|
|
HG11
|
E:VAL320
|
4.3
|
157.9
|
1.0
|
|
HH22
|
E:ARG231
|
4.4
|
127.2
|
1.0
|
|
H5'2
|
E:ADP402
|
4.5
|
141.7
|
1.0
|
|
HH11
|
E:ARG231
|
4.5
|
121.3
|
1.0
|
|
O5'
|
E:ADP402
|
4.5
|
144.0
|
1.0
|
|
CD
|
E:GLN227
|
4.6
|
133.4
|
1.0
|
|
HH21
|
E:ARG127
|
4.6
|
135.0
|
1.0
|
|
HB
|
E:VAL320
|
4.6
|
155.8
|
1.0
|
|
NE2
|
E:GLN227
|
4.7
|
135.4
|
1.0
|
|
HG12
|
E:VAL320
|
4.7
|
158.9
|
1.0
|
|
H5'1
|
E:ADP402
|
4.7
|
144.3
|
1.0
|
|
HZ3
|
E:TRP223
|
4.8
|
120.1
|
1.0
|
|
C5'
|
E:ADP402
|
4.9
|
142.9
|
1.0
|
|
CG1
|
E:VAL320
|
4.9
|
158.1
|
1.0
|
|
Magnesium binding site 6 out
of 8 in 9b0u
Go back to
Magnesium Binding Sites List in 9b0u
Magnesium binding site 6 out
of 8 in the Cryo-Em Structure of E227Q Variant of UMTCK1 Incubated with Adp and Phosphocreatine at pH 8.0
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 6 of Cryo-Em Structure of E227Q Variant of UMTCK1 Incubated with Adp and Phosphocreatine at pH 8.0 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Mg404
b:146.1
occ:1.00
|
O2A
|
F:ADP402
|
1.7
|
148.5
|
1.0
|
|
O3B
|
F:ADP402
|
1.8
|
153.3
|
1.0
|
|
O3
|
F:PO4403
|
1.9
|
159.2
|
1.0
|
|
PA
|
F:ADP402
|
3.0
|
144.8
|
1.0
|
|
PB
|
F:ADP402
|
3.0
|
156.2
|
1.0
|
|
HH12
|
F:ARG315
|
3.4
|
153.8
|
1.0
|
|
O1B
|
F:ADP402
|
3.5
|
161.1
|
1.0
|
|
P
|
F:PO4403
|
3.5
|
174.2
|
1.0
|
|
O3A
|
F:ADP402
|
3.5
|
147.9
|
1.0
|
|
HH12
|
F:ARG231
|
3.6
|
125.0
|
1.0
|
|
O1A
|
F:ADP402
|
3.8
|
148.7
|
1.0
|
|
H5'2
|
F:ADP402
|
3.9
|
140.0
|
1.0
|
|
OE1
|
F:GLN227
|
4.0
|
133.7
|
1.0
|
|
O4
|
F:PO4403
|
4.0
|
168.5
|
1.0
|
|
NH1
|
F:ARG315
|
4.1
|
156.2
|
1.0
|
|
HH11
|
F:ARG315
|
4.1
|
153.6
|
1.0
|
|
HG11
|
F:VAL320
|
4.2
|
156.7
|
1.0
|
|
O5'
|
F:ADP402
|
4.2
|
142.0
|
1.0
|
|
O2B
|
F:ADP402
|
4.3
|
138.6
|
1.0
|
|
O1
|
F:PO4403
|
4.3
|
146.2
|
1.0
|
|
O2
|
F:PO4403
|
4.4
|
164.2
|
1.0
|
|
C5'
|
F:ADP402
|
4.4
|
139.9
|
1.0
|
|
HH22
|
F:ARG231
|
4.4
|
127.0
|
1.0
|
|
NH1
|
F:ARG231
|
4.4
|
124.9
|
1.0
|
|
HG12
|
F:VAL320
|
4.4
|
159.4
|
1.0
|
|
H5'1
|
F:ADP402
|
4.4
|
142.0
|
1.0
|
|
HE22
|
F:GLN227
|
4.5
|
134.0
|
1.0
|
|
HH21
|
F:ARG127
|
4.5
|
133.1
|
1.0
|
|
HB
|
F:VAL320
|
4.5
|
156.8
|
1.0
|
|
CG1
|
F:VAL320
|
4.7
|
157.1
|
1.0
|
|
HZ3
|
F:TRP223
|
4.7
|
120.0
|
1.0
|
|
CD
|
F:GLN227
|
4.8
|
133.4
|
1.0
|
|
H
|
F:VAL320
|
4.8
|
161.4
|
1.0
|
|
HH11
|
F:ARG231
|
4.8
|
121.0
|
1.0
|
|
NE2
|
F:GLN227
|
4.9
|
135.6
|
1.0
|
|
Magnesium binding site 7 out
of 8 in 9b0u
Go back to
Magnesium Binding Sites List in 9b0u
Magnesium binding site 7 out
of 8 in the Cryo-Em Structure of E227Q Variant of UMTCK1 Incubated with Adp and Phosphocreatine at pH 8.0
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 7 of Cryo-Em Structure of E227Q Variant of UMTCK1 Incubated with Adp and Phosphocreatine at pH 8.0 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Mg404
b:149.1
occ:1.00
|
O2A
|
G:ADP402
|
1.7
|
151.0
|
1.0
|
|
O3B
|
G:ADP402
|
1.9
|
156.2
|
1.0
|
|
O4
|
G:PO4403
|
1.9
|
160.0
|
1.0
|
|
PA
|
G:ADP402
|
2.9
|
146.5
|
1.0
|
|
PB
|
G:ADP402
|
2.9
|
158.6
|
1.0
|
|
HH12
|
G:ARG315
|
3.1
|
154.2
|
1.0
|
|
O1B
|
G:ADP402
|
3.2
|
164.2
|
1.0
|
|
P
|
G:PO4403
|
3.4
|
173.4
|
1.0
|
|
O3A
|
G:ADP402
|
3.4
|
147.2
|
1.0
|
|
O1A
|
G:ADP402
|
3.6
|
149.7
|
1.0
|
|
HH12
|
G:ARG231
|
3.8
|
125.3
|
1.0
|
|
NH1
|
G:ARG315
|
3.8
|
155.8
|
1.0
|
|
HH11
|
G:ARG315
|
3.8
|
153.5
|
1.0
|
|
O3
|
G:PO4403
|
3.8
|
167.1
|
1.0
|
|
H5'2
|
G:ADP402
|
4.0
|
140.2
|
1.0
|
|
O2
|
G:PO4403
|
4.1
|
165.4
|
1.0
|
|
HG12
|
G:VAL320
|
4.1
|
159.2
|
1.0
|
|
HG11
|
G:VAL320
|
4.1
|
157.2
|
1.0
|
|
O5'
|
G:ADP402
|
4.2
|
140.8
|
1.0
|
|
OE1
|
G:GLN227
|
4.2
|
134.3
|
1.0
|
|
O2B
|
G:ADP402
|
4.3
|
139.8
|
1.0
|
|
HB
|
G:VAL320
|
4.4
|
156.1
|
1.0
|
|
C5'
|
G:ADP402
|
4.4
|
139.1
|
1.0
|
|
H5'1
|
G:ADP402
|
4.4
|
141.9
|
1.0
|
|
HH21
|
G:ARG127
|
4.5
|
134.4
|
1.0
|
|
O1
|
G:PO4403
|
4.5
|
147.3
|
1.0
|
|
CG1
|
G:VAL320
|
4.5
|
157.8
|
1.0
|
|
NH1
|
G:ARG231
|
4.5
|
125.2
|
1.0
|
|
HH22
|
G:ARG231
|
4.6
|
126.9
|
1.0
|
|
HE22
|
G:GLN227
|
4.6
|
134.5
|
1.0
|
|
H
|
G:VAL320
|
4.7
|
160.2
|
1.0
|
|
HZ3
|
G:TRP223
|
4.9
|
121.0
|
1.0
|
|
HH11
|
G:ARG231
|
4.9
|
121.2
|
1.0
|
|
CD
|
G:GLN227
|
4.9
|
134.2
|
1.0
|
|
Magnesium binding site 8 out
of 8 in 9b0u
Go back to
Magnesium Binding Sites List in 9b0u
Magnesium binding site 8 out
of 8 in the Cryo-Em Structure of E227Q Variant of UMTCK1 Incubated with Adp and Phosphocreatine at pH 8.0
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 8 of Cryo-Em Structure of E227Q Variant of UMTCK1 Incubated with Adp and Phosphocreatine at pH 8.0 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Mg404
b:144.1
occ:1.00
|
O3B
|
H:ADP402
|
2.1
|
154.9
|
1.0
|
|
O1
|
H:PO4403
|
2.4
|
160.5
|
1.0
|
|
O2A
|
H:ADP402
|
2.5
|
147.8
|
1.0
|
|
OE1
|
H:GLN227
|
3.1
|
135.2
|
1.0
|
|
HH12
|
H:ARG231
|
3.1
|
125.1
|
1.0
|
|
PB
|
H:ADP402
|
3.5
|
169.1
|
1.0
|
|
P
|
H:PO4403
|
3.8
|
173.3
|
1.0
|
|
PA
|
H:ADP402
|
3.9
|
146.7
|
1.0
|
|
HE22
|
H:GLN227
|
3.9
|
133.4
|
1.0
|
|
CD
|
H:GLN227
|
3.9
|
133.3
|
1.0
|
|
HH22
|
H:ARG231
|
3.9
|
127.4
|
1.0
|
|
NH1
|
H:ARG231
|
4.0
|
124.8
|
1.0
|
|
OE2
|
H:GLU226
|
4.1
|
136.2
|
1.0
|
|
O3A
|
H:ADP402
|
4.2
|
147.7
|
1.0
|
|
O1B
|
H:ADP402
|
4.2
|
175.3
|
1.0
|
|
NE2
|
H:GLN227
|
4.2
|
134.9
|
1.0
|
|
H5'2
|
H:ADP402
|
4.2
|
141.8
|
1.0
|
|
HZ3
|
H:TRP223
|
4.2
|
120.7
|
1.0
|
|
O2
|
H:PO4403
|
4.3
|
148.0
|
1.0
|
|
HH11
|
H:ARG231
|
4.5
|
120.9
|
1.0
|
|
O2B
|
H:ADP402
|
4.6
|
146.8
|
1.0
|
|
NH2
|
H:ARG231
|
4.6
|
128.8
|
1.0
|
|
O3
|
H:PO4403
|
4.7
|
163.7
|
1.0
|
|
H5'1
|
H:ADP402
|
4.8
|
144.6
|
1.0
|
|
HG11
|
H:VAL320
|
4.8
|
158.2
|
1.0
|
|
CZ
|
H:ARG231
|
4.8
|
124.6
|
1.0
|
|
O4
|
H:PO4403
|
4.8
|
166.7
|
1.0
|
|
C5'
|
H:ADP402
|
4.8
|
142.8
|
1.0
|
|
O1A
|
H:ADP402
|
4.8
|
151.9
|
1.0
|
|
O5'
|
H:ADP402
|
4.9
|
144.6
|
1.0
|
|
HH21
|
H:ARG127
|
4.9
|
134.3
|
1.0
|
|
NH1
|
H:ARG315
|
4.9
|
163.6
|
1.0
|
|
HE21
|
H:GLN227
|
5.0
|
129.9
|
1.0
|
|
OE1
|
H:GLU226
|
5.0
|
126.3
|
1.0
|
|
CD
|
H:GLU226
|
5.0
|
129.5
|
1.0
|
|
Reference:
M.Demir,
L.Koepping,
Y.Li,
L.Fujimoto,
A.Bobkov,
J.Zhao,
T.Hitosugi,
E.Sergienko.
Structural Basis For Substrate Binding, Catalysis and Inhibition of Cancer Target Mitochondrial Creatine Kinase By A Covalent Inhibitor Structure 2025.
ISSN: ISSN 0969-2126
DOI: 10.1016/J.STR.2025.01.008
Page generated: Tue Feb 25 11:12:50 2025
|
