Potassium in PDB 1ti7: Crystal Structure of Nmra, A Negative Transcriptional Regulator, in Complex with Nadp at 1.7A Resolution
Protein crystallography data
The structure of Crystal Structure of Nmra, A Negative Transcriptional Regulator, in Complex with Nadp at 1.7A Resolution, PDB code: 1ti7
was solved by
H.K.Lamb,
K.Leslie,
A.L.Dodds,
M.Nutley,
A.Cooper,
C.Johnson,
P.Thompson,
D.K.Stammers,
A.R.Hawkins,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
27.92 /
1.70
|
Space group
|
P 32 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
76.390,
76.390,
104.160,
90.00,
90.00,
120.00
|
R / Rfree (%)
|
17.3 /
21.7
|
Other elements in 1ti7:
The structure of Crystal Structure of Nmra, A Negative Transcriptional Regulator, in Complex with Nadp at 1.7A Resolution also contains other interesting chemical elements:
Potassium Binding Sites:
The binding sites of Potassium atom in the Crystal Structure of Nmra, A Negative Transcriptional Regulator, in Complex with Nadp at 1.7A Resolution
(pdb code 1ti7). 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 Nmra, A Negative Transcriptional Regulator, in Complex with Nadp at 1.7A Resolution, PDB code: 1ti7:
Jump to Potassium binding site number:
1;
2;
3;
4;
5;
Potassium binding site 1 out
of 5 in 1ti7
Go back to
Potassium Binding Sites List in 1ti7
Potassium binding site 1 out
of 5 in the Crystal Structure of Nmra, A Negative Transcriptional Regulator, in Complex with Nadp at 1.7A Resolution
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 Nmra, A Negative Transcriptional Regulator, in Complex with Nadp at 1.7A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:K379
b:22.8
occ:1.00
|
O
|
A:VAL53
|
2.6
|
15.8
|
1.0
|
O
|
A:GLN48
|
2.6
|
21.9
|
1.0
|
O
|
A:ILE50
|
2.8
|
17.7
|
1.0
|
O
|
A:HOH1481
|
2.9
|
33.9
|
1.0
|
O
|
A:HOH1483
|
3.6
|
15.9
|
1.0
|
C
|
A:ILE50
|
3.7
|
16.5
|
1.0
|
C
|
A:GLN48
|
3.7
|
23.1
|
1.0
|
C
|
A:VAL53
|
3.7
|
17.5
|
1.0
|
O
|
A:PRO51
|
4.0
|
22.9
|
1.0
|
O
|
A:HOH1002
|
4.1
|
20.5
|
1.0
|
CA
|
A:PRO51
|
4.2
|
19.8
|
1.0
|
C
|
A:PRO51
|
4.2
|
23.1
|
1.0
|
N
|
A:ILE50
|
4.3
|
14.0
|
1.0
|
N
|
A:PRO51
|
4.3
|
20.8
|
1.0
|
CA
|
A:GLN48
|
4.3
|
18.0
|
1.0
|
N
|
A:VAL53
|
4.3
|
16.7
|
1.0
|
CA
|
A:VAL53
|
4.4
|
12.1
|
1.0
|
O
|
A:LEU47
|
4.4
|
19.3
|
1.0
|
CB
|
A:VAL53
|
4.5
|
16.5
|
1.0
|
C
|
A:ALA49
|
4.6
|
18.3
|
1.0
|
CA
|
A:ILE50
|
4.6
|
17.4
|
1.0
|
N
|
A:ALA49
|
4.6
|
15.8
|
1.0
|
N
|
A:THR54
|
4.7
|
17.2
|
1.0
|
O
|
A:HOH1375
|
4.9
|
52.9
|
1.0
|
CA
|
A:ALA49
|
4.9
|
16.4
|
1.0
|
CA
|
A:THR54
|
4.9
|
16.9
|
1.0
|
O
|
A:HOH1482
|
4.9
|
39.1
|
1.0
|
|
Potassium binding site 2 out
of 5 in 1ti7
Go back to
Potassium Binding Sites List in 1ti7
Potassium binding site 2 out
of 5 in the Crystal Structure of Nmra, A Negative Transcriptional Regulator, in Complex with Nadp at 1.7A Resolution
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 Nmra, A Negative Transcriptional Regulator, in Complex with Nadp at 1.7A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:K380
b:36.4
occ:1.00
|
O
|
A:HOH1035
|
2.2
|
13.1
|
1.0
|
O
|
A:LEU143
|
2.6
|
22.1
|
1.0
|
OG
|
A:SER145
|
2.7
|
18.9
|
1.0
|
O
|
A:VAL138
|
3.0
|
24.0
|
1.0
|
O
|
A:LEU141
|
3.0
|
18.1
|
1.0
|
O
|
A:HOH1121
|
3.3
|
27.2
|
1.0
|
O
|
A:ARG139
|
3.4
|
23.4
|
1.0
|
CB
|
A:SER145
|
3.6
|
15.8
|
1.0
|
O
|
A:HOH1120
|
3.7
|
37.5
|
1.0
|
C
|
A:ARG139
|
3.7
|
21.7
|
1.0
|
CA
|
A:ARG139
|
3.8
|
17.5
|
1.0
|
C
|
A:LEU143
|
3.8
|
21.0
|
1.0
|
C
|
A:VAL138
|
3.9
|
18.6
|
1.0
|
N
|
A:SER145
|
4.0
|
16.7
|
1.0
|
C
|
A:LEU141
|
4.1
|
15.8
|
1.0
|
N
|
A:ARG139
|
4.3
|
19.9
|
1.0
|
N
|
A:LEU141
|
4.3
|
18.8
|
1.0
|
N
|
A:LEU143
|
4.3
|
19.6
|
1.0
|
OD1
|
A:ASN212
|
4.4
|
19.6
|
1.0
|
C
|
A:PRO144
|
4.4
|
18.4
|
1.0
|
CA
|
A:SER145
|
4.5
|
14.4
|
1.0
|
CD2
|
A:LEU143
|
4.5
|
25.6
|
1.0
|
CG1
|
A:VAL138
|
4.6
|
14.2
|
1.0
|
CA
|
A:LEU141
|
4.6
|
17.8
|
1.0
|
CA
|
A:PRO144
|
4.6
|
15.5
|
1.0
|
N
|
A:GLN140
|
4.7
|
21.5
|
1.0
|
N
|
A:PRO144
|
4.7
|
16.5
|
1.0
|
CA
|
A:LEU143
|
4.7
|
22.3
|
1.0
|
CB
|
A:LEU141
|
4.8
|
26.2
|
1.0
|
|
Potassium binding site 3 out
of 5 in 1ti7
Go back to
Potassium Binding Sites List in 1ti7
Potassium binding site 3 out
of 5 in the Crystal Structure of Nmra, A Negative Transcriptional Regulator, in Complex with Nadp at 1.7A Resolution
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 Nmra, A Negative Transcriptional Regulator, in Complex with Nadp at 1.7A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:K381
b:34.3
occ:1.00
|
O
|
A:SER112
|
2.7
|
14.2
|
1.0
|
OG
|
A:SER111
|
2.8
|
17.1
|
1.0
|
O
|
A:HOH1193
|
2.9
|
19.2
|
1.0
|
N
|
A:ALA150
|
2.9
|
14.7
|
1.0
|
O
|
A:VAL148
|
3.4
|
12.8
|
1.0
|
SD
|
A:MET113
|
3.6
|
17.2
|
1.0
|
CB
|
A:ALA150
|
3.6
|
14.0
|
1.0
|
C
|
A:SER112
|
3.7
|
14.9
|
1.0
|
CA
|
A:TYR149
|
3.7
|
17.0
|
1.0
|
N
|
A:SER112
|
3.7
|
13.9
|
1.0
|
C
|
A:TYR149
|
3.8
|
14.5
|
1.0
|
CG
|
A:MET113
|
3.8
|
13.2
|
1.0
|
C
|
A:SER111
|
3.8
|
15.9
|
1.0
|
CA
|
A:ALA150
|
3.9
|
12.0
|
1.0
|
CB
|
A:SER111
|
3.9
|
17.3
|
1.0
|
CA
|
A:SER111
|
4.1
|
13.5
|
1.0
|
C
|
A:VAL148
|
4.2
|
13.3
|
1.0
|
C6N
|
A:NAP400
|
4.2
|
17.1
|
1.0
|
O
|
A:SER111
|
4.3
|
15.0
|
1.0
|
CA
|
A:SER112
|
4.3
|
14.8
|
1.0
|
NE2
|
A:GLN17
|
4.3
|
13.0
|
1.0
|
N
|
A:TYR149
|
4.4
|
15.9
|
1.0
|
OE1
|
A:GLN17
|
4.6
|
17.0
|
1.0
|
C5N
|
A:NAP400
|
4.6
|
18.9
|
1.0
|
N
|
A:MET113
|
4.7
|
14.8
|
1.0
|
O
|
A:ALA150
|
4.8
|
16.1
|
1.0
|
C
|
A:ALA150
|
4.9
|
14.0
|
1.0
|
CD
|
A:GLN17
|
4.9
|
15.3
|
1.0
|
CB
|
A:TYR149
|
4.9
|
15.4
|
1.0
|
CB
|
A:MET113
|
5.0
|
17.9
|
1.0
|
O
|
A:TYR149
|
5.0
|
17.4
|
1.0
|
|
Potassium binding site 4 out
of 5 in 1ti7
Go back to
Potassium Binding Sites List in 1ti7
Potassium binding site 4 out
of 5 in the Crystal Structure of Nmra, A Negative Transcriptional Regulator, in Complex with Nadp at 1.7A Resolution
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 Nmra, A Negative Transcriptional Regulator, in Complex with Nadp at 1.7A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:K382
b:35.7
occ:1.00
|
O
|
A:SER117
|
2.7
|
28.1
|
1.0
|
O
|
A:GLY120
|
2.7
|
28.9
|
1.0
|
O
|
A:HOH1155
|
2.8
|
32.7
|
1.0
|
O
|
A:HOH1413
|
2.8
|
51.8
|
1.0
|
O
|
A:HOH1082
|
3.3
|
41.8
|
1.0
|
C
|
A:GLY120
|
3.7
|
27.1
|
1.0
|
C
|
A:SER117
|
3.7
|
28.4
|
1.0
|
O
|
A:HOH1156
|
4.2
|
42.1
|
1.0
|
CA
|
A:SER117
|
4.3
|
24.1
|
1.0
|
CA
|
A:PRO121
|
4.4
|
28.6
|
1.0
|
N
|
A:PRO121
|
4.4
|
31.2
|
1.0
|
N
|
A:GLY120
|
4.5
|
26.5
|
1.0
|
N
|
A:TRP122
|
4.6
|
28.4
|
1.0
|
O
|
A:TRP122
|
4.6
|
27.3
|
1.0
|
CA
|
A:GLY120
|
4.6
|
26.3
|
1.0
|
O
|
A:HOH1032
|
4.7
|
43.8
|
1.0
|
CB
|
A:SER117
|
4.7
|
22.0
|
1.0
|
N
|
A:LEU118
|
4.8
|
23.5
|
1.0
|
C
|
A:PRO121
|
5.0
|
33.2
|
1.0
|
|
Potassium binding site 5 out
of 5 in 1ti7
Go back to
Potassium Binding Sites List in 1ti7
Potassium binding site 5 out
of 5 in the Crystal Structure of Nmra, A Negative Transcriptional Regulator, in Complex with Nadp at 1.7A Resolution
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 Nmra, A Negative Transcriptional Regulator, in Complex with Nadp at 1.7A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:K383
b:25.7
occ:1.00
|
O
|
A:GLN140
|
2.7
|
22.4
|
1.0
|
O
|
A:HOH1109
|
3.1
|
23.7
|
1.0
|
O
|
A:HOH1118
|
3.1
|
29.4
|
1.0
|
C
|
A:GLN140
|
3.9
|
22.1
|
1.0
|
CA
|
A:LEU141
|
4.2
|
17.8
|
1.0
|
N
|
A:GLY142
|
4.3
|
16.5
|
1.0
|
N
|
A:LEU141
|
4.5
|
18.8
|
1.0
|
C
|
A:LEU141
|
4.5
|
15.8
|
1.0
|
O
|
A:HOH1416
|
4.6
|
52.4
|
1.0
|
CD2
|
A:LEU141
|
4.7
|
34.0
|
1.0
|
O
|
A:HOH1119
|
4.8
|
25.4
|
1.0
|
|
Reference:
H.K.Lamb,
K.Leslie,
A.L.Dodds,
M.Nutley,
A.Cooper,
C.Johnson,
P.Thompson,
D.K.Stammers,
A.R.Hawkins.
The Negative Transcriptional Regulator Nmra Discriminates Between Oxidized and Reduced Dinucleotides. J.Biol.Chem. V. 278 32107 2003.
ISSN: ISSN 0021-9258
PubMed: 12764138
DOI: 10.1074/JBC.M304104200
Page generated: Mon Aug 12 05:29:55 2024
|