Magnesium in PDB 2cl0: Crystal Structure Analysis of A Fluorescent Form of H-Ras P21 in Complex with Gppnhp
Protein crystallography data
The structure of Crystal Structure Analysis of A Fluorescent Form of H-Ras P21 in Complex with Gppnhp, PDB code: 2cl0
was solved by
B.U.Klink,
R.S.Goody,
A.J.Scheidig,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
67.42 /
1.8
|
Space group
|
H 3 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
88.540,
88.540,
144.100,
90.00,
90.00,
120.00
|
R / Rfree (%)
|
14.6 /
18.5
|
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Crystal Structure Analysis of A Fluorescent Form of H-Ras P21 in Complex with Gppnhp
(pdb code 2cl0). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 5 binding sites of Magnesium where determined in the
Crystal Structure Analysis of A Fluorescent Form of H-Ras P21 in Complex with Gppnhp, PDB code: 2cl0:
Jump to Magnesium binding site number:
1;
2;
3;
4;
5;
Magnesium binding site 1 out
of 5 in 2cl0
Go back to
Magnesium Binding Sites List in 2cl0
Magnesium binding site 1 out
of 5 in the Crystal Structure Analysis of A Fluorescent Form of H-Ras P21 in Complex with Gppnhp
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Crystal Structure Analysis of A Fluorescent Form of H-Ras P21 in Complex with Gppnhp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
X:Mg167
b:17.3
occ:0.33
|
O
|
X:HOH2110
|
1.9
|
20.5
|
1.0
|
O
|
X:HOH2119
|
1.9
|
21.4
|
1.0
|
O
|
X:THR124
|
3.8
|
22.8
|
1.0
|
OE1
|
X:GLN129
|
3.9
|
31.8
|
1.0
|
O
|
X:HOH2111
|
4.1
|
28.3
|
1.0
|
NE2
|
X:GLN129
|
4.2
|
21.0
|
1.0
|
O
|
X:HOH2116
|
4.2
|
55.3
|
1.0
|
CD
|
X:GLN129
|
4.5
|
26.9
|
1.0
|
C
|
X:THR124
|
4.9
|
23.4
|
1.0
|
|
Magnesium binding site 2 out
of 5 in 2cl0
Go back to
Magnesium Binding Sites List in 2cl0
Magnesium binding site 2 out
of 5 in the Crystal Structure Analysis of A Fluorescent Form of H-Ras P21 in Complex with Gppnhp
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Crystal Structure Analysis of A Fluorescent Form of H-Ras P21 in Complex with Gppnhp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
X:Mg168
b:22.3
occ:1.00
|
O1G
|
X:GNP200
|
1.9
|
24.7
|
1.0
|
O
|
X:HOH2067
|
2.0
|
27.4
|
1.0
|
O2B
|
X:GNP200
|
2.0
|
23.3
|
1.0
|
OG
|
X:SER17
|
2.0
|
23.4
|
1.0
|
O
|
X:HOH2034
|
2.1
|
24.9
|
1.0
|
O
|
X:HOH2161
|
2.1
|
27.6
|
1.0
|
CB
|
X:SER17
|
3.2
|
24.9
|
1.0
|
PB
|
X:GNP200
|
3.2
|
24.5
|
1.0
|
PG
|
X:GNP200
|
3.2
|
26.9
|
1.0
|
N3B
|
X:GNP200
|
3.5
|
22.9
|
1.0
|
O
|
X:HOH2035
|
3.9
|
30.7
|
1.0
|
N
|
X:SER17
|
3.9
|
24.9
|
1.0
|
OD2
|
X:ASP57
|
4.1
|
31.9
|
1.0
|
CA
|
X:SER17
|
4.1
|
24.3
|
1.0
|
O2A
|
X:GNP200
|
4.2
|
28.7
|
1.0
|
O1B
|
X:GNP200
|
4.2
|
22.7
|
1.0
|
O
|
X:ASP33
|
4.2
|
46.9
|
0.7
|
OD1
|
X:ASP57
|
4.2
|
27.8
|
1.0
|
O
|
X:ASP33
|
4.3
|
47.0
|
0.3
|
O
|
X:HOH2033
|
4.3
|
39.9
|
1.0
|
O3G
|
X:GNP200
|
4.3
|
25.6
|
1.0
|
O2G
|
X:GNP200
|
4.3
|
25.8
|
1.0
|
O3A
|
X:GNP200
|
4.3
|
23.7
|
1.0
|
CB
|
X:ASP33
|
4.5
|
47.2
|
0.3
|
O
|
X:THR35
|
4.5
|
46.0
|
1.0
|
O
|
X:THR58
|
4.5
|
27.0
|
1.0
|
CG
|
X:ASP57
|
4.6
|
25.8
|
1.0
|
PA
|
X:GNP200
|
4.6
|
26.1
|
1.0
|
CB
|
X:ASP33
|
4.6
|
47.0
|
0.7
|
O1A
|
X:GNP200
|
4.7
|
25.9
|
1.0
|
CB
|
X:LYS16
|
4.8
|
25.7
|
1.0
|
O
|
X:HOH2030
|
4.8
|
38.0
|
1.0
|
CG
|
X:ASP33
|
4.8
|
47.4
|
0.3
|
CE
|
X:LYS16
|
4.9
|
26.5
|
1.0
|
C
|
X:LYS16
|
4.9
|
24.5
|
1.0
|
|
Magnesium binding site 3 out
of 5 in 2cl0
Go back to
Magnesium Binding Sites List in 2cl0
Magnesium binding site 3 out
of 5 in the Crystal Structure Analysis of A Fluorescent Form of H-Ras P21 in Complex with Gppnhp
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of Crystal Structure Analysis of A Fluorescent Form of H-Ras P21 in Complex with Gppnhp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
X:Mg169
b:37.9
occ:1.00
|
O
|
X:HOH2113
|
2.1
|
35.8
|
1.0
|
O
|
X:HOH2112
|
2.1
|
43.8
|
1.0
|
O
|
X:HOH2106
|
4.1
|
32.0
|
1.0
|
OE1
|
X:GLU126
|
4.2
|
33.9
|
1.0
|
OE2
|
X:GLU126
|
4.2
|
31.0
|
1.0
|
O
|
X:HOH2109
|
4.3
|
26.9
|
1.0
|
CD
|
X:GLU126
|
4.7
|
31.5
|
1.0
|
CD
|
X:ARG123
|
5.0
|
26.0
|
1.0
|
|
Magnesium binding site 4 out
of 5 in 2cl0
Go back to
Magnesium Binding Sites List in 2cl0
Magnesium binding site 4 out
of 5 in the Crystal Structure Analysis of A Fluorescent Form of H-Ras P21 in Complex with Gppnhp
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of Crystal Structure Analysis of A Fluorescent Form of H-Ras P21 in Complex with Gppnhp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
X:Mg170
b:28.8
occ:1.00
|
O3G
|
X:GNP200
|
2.0
|
25.6
|
1.0
|
O
|
X:HOH2030
|
2.1
|
38.0
|
1.0
|
O
|
X:HOH2035
|
2.1
|
30.7
|
1.0
|
O
|
X:HOH2072
|
2.1
|
31.1
|
1.0
|
OE1
|
X:GLU63
|
2.1
|
36.6
|
1.0
|
O
|
X:HOH2074
|
2.1
|
28.3
|
1.0
|
CD
|
X:GLU63
|
3.1
|
46.3
|
1.0
|
PG
|
X:GNP200
|
3.3
|
26.9
|
1.0
|
OE2
|
X:GLU63
|
3.4
|
42.6
|
1.0
|
O1G
|
X:GNP200
|
3.7
|
24.7
|
1.0
|
O
|
X:HOH2165
|
3.8
|
47.4
|
1.0
|
O
|
X:HOH2073
|
4.0
|
34.5
|
1.0
|
O
|
X:ASP33
|
4.0
|
47.0
|
0.3
|
O
|
X:ASP33
|
4.0
|
46.9
|
0.7
|
O
|
X:HOH2166
|
4.1
|
36.0
|
1.0
|
O2G
|
X:GNP200
|
4.3
|
25.8
|
1.0
|
N3B
|
X:GNP200
|
4.3
|
22.9
|
1.0
|
O
|
X:THR35
|
4.3
|
46.0
|
1.0
|
CG
|
X:GLU63
|
4.4
|
46.5
|
1.0
|
O
|
X:PRO34
|
4.6
|
45.4
|
1.0
|
O
|
X:HOH2161
|
4.6
|
27.6
|
1.0
|
C
|
X:PRO34
|
4.8
|
46.2
|
1.0
|
CB
|
X:ALA59
|
4.9
|
29.0
|
1.0
|
CA
|
X:PRO34
|
4.9
|
46.7
|
1.0
|
O
|
X:HOH2034
|
4.9
|
24.9
|
1.0
|
|
Magnesium binding site 5 out
of 5 in 2cl0
Go back to
Magnesium Binding Sites List in 2cl0
Magnesium binding site 5 out
of 5 in the Crystal Structure Analysis of A Fluorescent Form of H-Ras P21 in Complex with Gppnhp
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 5 of Crystal Structure Analysis of A Fluorescent Form of H-Ras P21 in Complex with Gppnhp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
X:Mg171
b:23.7
occ:0.50
|
O
|
X:HOH2132
|
2.0
|
34.4
|
1.0
|
O
|
X:HOH2041
|
2.0
|
44.9
|
0.5
|
O
|
X:HOH2155
|
2.1
|
33.0
|
0.5
|
O
|
X:HOH2156
|
2.6
|
48.0
|
1.0
|
O
|
X:GLY138
|
3.9
|
24.1
|
1.0
|
O
|
X:HOH2131
|
4.0
|
54.9
|
1.0
|
OE1
|
X:GLU162
|
4.2
|
30.9
|
1.0
|
OE2
|
X:GLU162
|
4.3
|
31.5
|
1.0
|
OE1
|
X:GLN165
|
4.5
|
36.8
|
1.0
|
CD
|
X:GLU162
|
4.7
|
30.9
|
1.0
|
C
|
X:GLY138
|
4.8
|
25.2
|
1.0
|
|
Reference:
B.U.Klink,
R.S.Goody,
A.J.Scheidig.
A Newly Designed Microspectrofluorometer For Kinetic Studies on Protein Crystals in Combination with X-Ray Diffraction Biophys.J. V. 91 981 2006.
ISSN: ISSN 0006-3495
PubMed: 16698776
DOI: 10.1529/BIOPHYSJ.105.078931
Page generated: Tue Aug 13 22:17:55 2024
|