Chlorine in PDB 6u44: Crystal Structure of Methanoperedens Nitroreducens Elongation Factor 2 H595N Bound to Gmppcp and Magnesium (Monoclinic Crystal Form)
Protein crystallography data
The structure of Crystal Structure of Methanoperedens Nitroreducens Elongation Factor 2 H595N Bound to Gmppcp and Magnesium (Monoclinic Crystal Form), PDB code: 6u44
was solved by
M.K.Fenwick,
S.E.Ealick,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
75.49 /
2.10
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
78.322,
106.814,
98.056,
90.00,
105.46,
90.00
|
R / Rfree (%)
|
18.7 /
24
|
Other elements in 6u44:
The structure of Crystal Structure of Methanoperedens Nitroreducens Elongation Factor 2 H595N Bound to Gmppcp and Magnesium (Monoclinic Crystal Form) also contains other interesting chemical elements:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of Methanoperedens Nitroreducens Elongation Factor 2 H595N Bound to Gmppcp and Magnesium (Monoclinic Crystal Form)
(pdb code 6u44). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the
Crystal Structure of Methanoperedens Nitroreducens Elongation Factor 2 H595N Bound to Gmppcp and Magnesium (Monoclinic Crystal Form), PDB code: 6u44:
Jump to Chlorine binding site number:
1;
2;
3;
4;
Chlorine binding site 1 out
of 4 in 6u44
Go back to
Chlorine Binding Sites List in 6u44
Chlorine binding site 1 out
of 4 in the Crystal Structure of Methanoperedens Nitroreducens Elongation Factor 2 H595N Bound to Gmppcp and Magnesium (Monoclinic Crystal Form)
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Crystal Structure of Methanoperedens Nitroreducens Elongation Factor 2 H595N Bound to Gmppcp and Magnesium (Monoclinic Crystal Form) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl803
b:67.0
occ:1.00
|
CB
|
A:ASN553
|
3.3
|
65.1
|
1.0
|
N
|
A:TYR551
|
3.4
|
53.1
|
1.0
|
CA
|
A:TYR551
|
3.5
|
47.6
|
1.0
|
N
|
A:ASN553
|
3.6
|
53.6
|
1.0
|
ND2
|
A:ASN553
|
3.8
|
78.3
|
1.0
|
C
|
A:TYR551
|
3.8
|
44.7
|
1.0
|
CG
|
A:ASN553
|
3.9
|
71.8
|
1.0
|
CA
|
A:ASN553
|
4.0
|
57.8
|
1.0
|
N
|
A:LEU552
|
4.0
|
43.5
|
1.0
|
N
|
A:GLU554
|
4.2
|
53.9
|
1.0
|
OE1
|
A:GLU554
|
4.4
|
86.5
|
1.0
|
O
|
A:TYR551
|
4.5
|
44.8
|
1.0
|
C
|
A:GLN550
|
4.6
|
50.5
|
1.0
|
C
|
A:ASN553
|
4.7
|
54.3
|
1.0
|
C
|
A:LEU552
|
4.7
|
51.9
|
1.0
|
O
|
A:ILE549
|
4.9
|
50.0
|
1.0
|
CB
|
A:TYR551
|
4.9
|
40.4
|
1.0
|
OD1
|
A:ASN553
|
4.9
|
72.4
|
1.0
|
CG
|
A:GLU554
|
5.0
|
73.2
|
1.0
|
CA
|
A:LEU552
|
5.0
|
49.0
|
1.0
|
CA
|
A:GLN550
|
5.0
|
48.8
|
1.0
|
|
Chlorine binding site 2 out
of 4 in 6u44
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Chlorine Binding Sites List in 6u44
Chlorine binding site 2 out
of 4 in the Crystal Structure of Methanoperedens Nitroreducens Elongation Factor 2 H595N Bound to Gmppcp and Magnesium (Monoclinic Crystal Form)
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Crystal Structure of Methanoperedens Nitroreducens Elongation Factor 2 H595N Bound to Gmppcp and Magnesium (Monoclinic Crystal Form) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl806
b:49.6
occ:1.00
|
NZ
|
A:LYS581
|
2.9
|
38.6
|
1.0
|
O
|
A:HOH1259
|
2.9
|
45.7
|
1.0
|
N
|
A:GLN495
|
3.2
|
42.4
|
1.0
|
CG1
|
A:ILE498
|
3.6
|
45.3
|
1.0
|
CE
|
A:LYS581
|
3.7
|
42.7
|
1.0
|
CB
|
A:ILE498
|
3.8
|
41.7
|
1.0
|
CB
|
A:GLN495
|
3.8
|
52.3
|
1.0
|
CD2
|
A:LEU494
|
3.8
|
39.5
|
1.0
|
CD
|
A:LYS581
|
3.9
|
45.4
|
1.0
|
CG
|
A:GLN495
|
3.9
|
55.1
|
1.0
|
CA
|
A:LEU494
|
3.9
|
33.9
|
1.0
|
CE
|
A:MET525
|
3.9
|
38.0
|
1.0
|
C
|
A:LEU494
|
4.1
|
33.2
|
1.0
|
O
|
A:HOH948
|
4.1
|
34.9
|
1.0
|
CG2
|
A:ILE498
|
4.1
|
42.2
|
1.0
|
CA
|
A:GLN495
|
4.1
|
49.2
|
1.0
|
O
|
A:PRO493
|
4.5
|
30.9
|
1.0
|
CB
|
A:LEU494
|
4.6
|
36.9
|
1.0
|
O
|
A:GLN495
|
4.8
|
45.7
|
1.0
|
CG
|
A:LEU494
|
4.9
|
41.8
|
1.0
|
CD1
|
A:ILE498
|
4.9
|
51.6
|
1.0
|
C
|
A:GLN495
|
5.0
|
45.5
|
1.0
|
|
Chlorine binding site 3 out
of 4 in 6u44
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Chlorine Binding Sites List in 6u44
Chlorine binding site 3 out
of 4 in the Crystal Structure of Methanoperedens Nitroreducens Elongation Factor 2 H595N Bound to Gmppcp and Magnesium (Monoclinic Crystal Form)
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Crystal Structure of Methanoperedens Nitroreducens Elongation Factor 2 H595N Bound to Gmppcp and Magnesium (Monoclinic Crystal Form) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl803
b:42.5
occ:1.00
|
O
|
B:HOH1268
|
3.0
|
47.3
|
1.0
|
N
|
B:GLN495
|
3.1
|
34.6
|
1.0
|
NZ
|
B:LYS581
|
3.2
|
30.1
|
1.0
|
CG1
|
B:ILE498
|
3.4
|
28.0
|
1.0
|
CB
|
B:ILE498
|
3.7
|
35.1
|
1.0
|
CB
|
B:GLN495
|
3.8
|
43.4
|
1.0
|
CE
|
B:LYS581
|
3.8
|
33.4
|
1.0
|
CD2
|
B:LEU494
|
3.8
|
26.2
|
1.0
|
CE
|
B:MET525
|
3.9
|
34.6
|
1.0
|
CA
|
B:LEU494
|
3.9
|
27.9
|
1.0
|
CD
|
B:LYS581
|
3.9
|
32.4
|
1.0
|
C
|
B:LEU494
|
4.0
|
23.9
|
1.0
|
CG
|
B:GLN495
|
4.0
|
53.1
|
1.0
|
CG2
|
B:ILE498
|
4.0
|
31.3
|
1.0
|
CA
|
B:GLN495
|
4.1
|
38.0
|
1.0
|
CB
|
B:LEU494
|
4.4
|
37.0
|
1.0
|
O
|
B:HOH1094
|
4.5
|
31.5
|
1.0
|
O
|
B:HOH1293
|
4.5
|
54.9
|
1.0
|
CD1
|
B:ILE498
|
4.6
|
40.9
|
1.0
|
O
|
B:PRO493
|
4.6
|
25.6
|
1.0
|
O
|
B:GLN495
|
4.7
|
39.0
|
1.0
|
CG
|
B:LEU494
|
4.8
|
33.0
|
1.0
|
C
|
B:GLN495
|
4.9
|
42.2
|
1.0
|
OE1
|
B:GLU529
|
5.0
|
36.8
|
1.0
|
|
Chlorine binding site 4 out
of 4 in 6u44
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Chlorine Binding Sites List in 6u44
Chlorine binding site 4 out
of 4 in the Crystal Structure of Methanoperedens Nitroreducens Elongation Factor 2 H595N Bound to Gmppcp and Magnesium (Monoclinic Crystal Form)
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Crystal Structure of Methanoperedens Nitroreducens Elongation Factor 2 H595N Bound to Gmppcp and Magnesium (Monoclinic Crystal Form) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl804
b:60.9
occ:1.00
|
OH
|
B:TYR187
|
3.3
|
43.1
|
1.0
|
O
|
B:HOH1191
|
3.4
|
45.1
|
1.0
|
NE
|
B:ARG191
|
3.5
|
55.6
|
1.0
|
O
|
B:HOH1309
|
3.6
|
66.1
|
1.0
|
CE2
|
B:TYR187
|
3.6
|
48.6
|
1.0
|
CZ
|
B:TYR187
|
3.9
|
40.9
|
1.0
|
CD
|
B:ARG191
|
4.0
|
45.1
|
1.0
|
O
|
B:HOH936
|
4.0
|
61.3
|
1.0
|
CZ
|
B:ARG191
|
4.5
|
62.2
|
1.0
|
NH2
|
B:ARG191
|
4.7
|
61.8
|
1.0
|
CD2
|
B:TYR187
|
4.8
|
49.6
|
1.0
|
CG
|
B:ARG191
|
4.9
|
42.4
|
1.0
|
|
Reference:
M.K.Fenwick,
S.E.Ealick.
Structural Basis of Elongation Factor 2 Switching Curr Res Struct Biol V. 2 25 2020.
ISSN: ESSN 2665-928X
DOI: 10.1016/J.CRSTBI.2020.02.001
Page generated: Sat Dec 12 13:47:38 2020
|