Magnesium in PDB 2gx2: Crystal Structural and Functional Analysis of Gfp-Like Fluorescent Protein Dronpa
Protein crystallography data
The structure of Crystal Structural and Functional Analysis of Gfp-Like Fluorescent Protein Dronpa, PDB code: 2gx2
was solved by
K.Y.Hwang,
K.-H.Nam,
S.-Y.Park,
K.Sugiyama,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
19.99 /
1.80
|
Space group
|
P 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
73.091,
106.160,
110.070,
61.17,
70.85,
86.21
|
R / Rfree (%)
|
18.2 /
20.9
|
Magnesium Binding Sites:
Magnesium binding site 1 out
of 62 in 2gx2
Go back to
Magnesium Binding Sites List in 2gx2
Magnesium binding site 1 out
of 62 in the Crystal Structural and Functional Analysis of Gfp-Like Fluorescent Protein Dronpa
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Crystal Structural and Functional Analysis of Gfp-Like Fluorescent Protein Dronpa within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg3025
b:51.8
occ:1.00
|
O
|
A:HOH3109
|
3.0
|
31.0
|
1.0
|
CB
|
A:SER205
|
3.1
|
40.6
|
1.0
|
CA
|
A:SER205
|
3.6
|
33.9
|
1.0
|
CA
|
A:GLY48
|
3.7
|
35.6
|
1.0
|
CA
|
A:PRO49
|
3.9
|
33.3
|
1.0
|
CB
|
A:VAL44
|
3.9
|
23.9
|
1.0
|
CG1
|
A:VAL44
|
4.0
|
22.1
|
1.0
|
OD1
|
A:ASP203
|
4.2
|
62.6
|
1.0
|
C
|
A:GLY48
|
4.2
|
35.4
|
1.0
|
N
|
A:PRO49
|
4.3
|
34.2
|
1.0
|
OG
|
A:SER205
|
4.3
|
43.9
|
1.0
|
N
|
A:SER205
|
4.3
|
35.8
|
1.0
|
CG
|
A:ASP203
|
4.3
|
60.7
|
1.0
|
OD2
|
A:ASP203
|
4.3
|
62.8
|
1.0
|
CG2
|
A:VAL44
|
4.4
|
23.3
|
1.0
|
CB
|
A:PRO49
|
4.5
|
42.4
|
1.0
|
O
|
A:HOH3123
|
4.5
|
28.4
|
1.0
|
O
|
A:ASP203
|
4.8
|
29.4
|
1.0
|
O
|
A:VAL44
|
4.8
|
26.2
|
1.0
|
N
|
A:GLY48
|
4.8
|
35.5
|
1.0
|
N
|
A:LEU50
|
5.0
|
31.6
|
1.0
|
C
|
A:SER205
|
5.0
|
32.0
|
1.0
|
C
|
A:PRO49
|
5.0
|
30.5
|
1.0
|
|
Magnesium binding site 2 out
of 62 in 2gx2
Go back to
Magnesium Binding Sites List in 2gx2
Magnesium binding site 2 out
of 62 in the Crystal Structural and Functional Analysis of Gfp-Like Fluorescent Protein Dronpa
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Crystal Structural and Functional Analysis of Gfp-Like Fluorescent Protein Dronpa within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg3026
b:52.0
occ:1.00
|
O
|
A:HOH3127
|
2.6
|
33.2
|
1.0
|
O
|
L:HOH3137
|
2.8
|
36.5
|
1.0
|
O
|
L:HOH3070
|
2.8
|
21.8
|
1.0
|
CB
|
A:ALA17
|
3.6
|
22.8
|
1.0
|
CB
|
L:ARG119
|
4.1
|
22.6
|
1.0
|
CB
|
A:PRO22
|
4.2
|
31.7
|
1.0
|
CG
|
L:ARG119
|
4.2
|
23.9
|
1.0
|
NH2
|
A:ARG119
|
4.4
|
24.1
|
1.0
|
O
|
A:GLY20
|
4.5
|
34.9
|
1.0
|
CD
|
L:ARG119
|
4.5
|
24.6
|
1.0
|
CA
|
A:PRO22
|
4.7
|
30.2
|
1.0
|
O
|
L:HOH3101
|
4.7
|
20.8
|
1.0
|
CD
|
A:PRO22
|
4.7
|
32.0
|
1.0
|
O
|
L:HOH3111
|
4.8
|
31.1
|
1.0
|
O
|
L:HOH3132
|
4.8
|
47.9
|
1.0
|
N
|
A:PRO22
|
4.8
|
31.6
|
1.0
|
OG1
|
L:THR104
|
4.8
|
21.9
|
1.0
|
O
|
A:HOH3077
|
4.8
|
19.3
|
1.0
|
CG
|
A:PRO22
|
4.9
|
31.9
|
1.0
|
C
|
A:GLY20
|
5.0
|
33.8
|
1.0
|
|
Magnesium binding site 3 out
of 62 in 2gx2
Go back to
Magnesium Binding Sites List in 2gx2
Magnesium binding site 3 out
of 62 in the Crystal Structural and Functional Analysis of Gfp-Like Fluorescent Protein Dronpa
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of Crystal Structural and Functional Analysis of Gfp-Like Fluorescent Protein Dronpa within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg3027
b:43.0
occ:1.00
|
O
|
L:HOH3161
|
2.4
|
33.4
|
1.0
|
O
|
A:HOH3102
|
2.4
|
21.4
|
1.0
|
O
|
L:HOH3160
|
2.4
|
38.5
|
1.0
|
O
|
L:HOH3163
|
2.5
|
39.9
|
1.0
|
O
|
A:HOH3177
|
2.5
|
38.4
|
1.0
|
O
|
L:HOH3093
|
4.1
|
24.8
|
1.0
|
O
|
A:HOH3088
|
4.3
|
22.4
|
1.0
|
OD2
|
L:ASP150
|
4.3
|
38.9
|
1.0
|
OD1
|
A:ASN128
|
4.4
|
30.6
|
1.0
|
OD1
|
L:ASP150
|
4.5
|
38.9
|
1.0
|
O
|
A:HOH3108
|
4.6
|
24.4
|
1.0
|
ND2
|
A:ASN128
|
4.8
|
30.7
|
1.0
|
CB
|
A:PRO126
|
4.9
|
19.5
|
1.0
|
CG
|
L:ASP150
|
4.9
|
37.4
|
1.0
|
CD
|
L:ARG149
|
4.9
|
24.4
|
1.0
|
CG
|
A:PRO126
|
5.0
|
20.2
|
1.0
|
|
Magnesium binding site 4 out
of 62 in 2gx2
Go back to
Magnesium Binding Sites List in 2gx2
Magnesium binding site 4 out
of 62 in the Crystal Structural and Functional Analysis of Gfp-Like Fluorescent Protein Dronpa
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of Crystal Structural and Functional Analysis of Gfp-Like Fluorescent Protein Dronpa within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg3031
b:46.6
occ:1.00
|
O
|
E:HOH3131
|
2.7
|
22.8
|
1.0
|
O
|
A:HOH3096
|
2.9
|
24.1
|
1.0
|
CB
|
A:PRO130
|
3.6
|
20.5
|
1.0
|
CG
|
A:ARG135
|
3.7
|
27.6
|
1.0
|
CB
|
A:ARG135
|
3.8
|
24.7
|
1.0
|
CA
|
A:PRO130
|
3.9
|
18.6
|
1.0
|
CD
|
A:PRO130
|
4.0
|
19.5
|
1.0
|
CD1
|
A:LEU163
|
4.1
|
18.4
|
1.0
|
CD
|
E:PRO49
|
4.1
|
30.0
|
1.0
|
N
|
A:PRO130
|
4.1
|
19.6
|
1.0
|
O
|
E:GLY48
|
4.2
|
20.4
|
1.0
|
CG
|
A:PRO130
|
4.3
|
19.4
|
1.0
|
O
|
A:HOH3179
|
4.6
|
36.8
|
1.0
|
NE
|
A:ARG135
|
4.6
|
34.7
|
1.0
|
CD
|
A:ARG135
|
4.8
|
30.9
|
1.0
|
CD2
|
A:LEU163
|
4.8
|
16.8
|
1.0
|
C
|
A:GLY129
|
4.9
|
17.9
|
1.0
|
CG
|
A:LEU163
|
4.9
|
17.9
|
1.0
|
|
Magnesium binding site 5 out
of 62 in 2gx2
Go back to
Magnesium Binding Sites List in 2gx2
Magnesium binding site 5 out
of 62 in the Crystal Structural and Functional Analysis of Gfp-Like Fluorescent Protein Dronpa
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 5 of Crystal Structural and Functional Analysis of Gfp-Like Fluorescent Protein Dronpa within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg3033
b:45.5
occ:1.00
|
O
|
H:HOH3209
|
2.8
|
34.9
|
1.0
|
O
|
A:HOH3103
|
2.8
|
22.1
|
1.0
|
O
|
A:HOH3180
|
2.9
|
32.9
|
1.0
|
CA
|
H:GLY167
|
3.7
|
17.9
|
1.0
|
O
|
A:VAL148
|
3.8
|
13.9
|
1.0
|
CG1
|
A:VAL148
|
4.0
|
19.7
|
1.0
|
N
|
H:GLY167
|
4.0
|
20.5
|
1.0
|
C
|
A:VAL148
|
4.3
|
14.9
|
1.0
|
O
|
H:HOH3065
|
4.3
|
17.1
|
1.0
|
O
|
A:HOH3062
|
4.4
|
13.9
|
1.0
|
CA
|
A:ARG149
|
4.5
|
18.9
|
1.0
|
CB
|
A:VAL148
|
4.6
|
17.7
|
1.0
|
N
|
A:ARG149
|
4.6
|
17.7
|
1.0
|
C
|
H:GLY166
|
4.7
|
22.3
|
1.0
|
N
|
A:ASP150
|
4.8
|
18.1
|
1.0
|
|
Magnesium binding site 6 out
of 62 in 2gx2
Go back to
Magnesium Binding Sites List in 2gx2
Magnesium binding site 6 out
of 62 in the Crystal Structural and Functional Analysis of Gfp-Like Fluorescent Protein Dronpa
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 6 of Crystal Structural and Functional Analysis of Gfp-Like Fluorescent Protein Dronpa within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg3052
b:44.8
occ:1.00
|
O
|
H:HOH3169
|
2.5
|
44.9
|
1.0
|
ND1
|
A:HIS216
|
2.9
|
25.3
|
1.0
|
O
|
A:SER217
|
3.2
|
32.6
|
1.0
|
C
|
A:SER217
|
3.6
|
31.1
|
1.0
|
CE1
|
A:HIS216
|
3.6
|
25.5
|
1.0
|
N
|
A:SER217
|
3.9
|
24.5
|
1.0
|
CG
|
A:HIS216
|
4.0
|
24.3
|
1.0
|
CA
|
A:SER217
|
4.0
|
28.4
|
1.0
|
CD2
|
A:PHE190
|
4.1
|
14.3
|
1.0
|
CE2
|
A:PHE190
|
4.2
|
16.3
|
1.0
|
N
|
A:GLU218
|
4.3
|
37.0
|
1.0
|
CB
|
A:HIS216
|
4.3
|
23.4
|
1.0
|
C
|
A:HIS216
|
4.4
|
19.6
|
1.0
|
O
|
H:HOH3093
|
4.4
|
25.0
|
1.0
|
NH1
|
H:ARG221
|
4.6
|
30.4
|
1.0
|
CA
|
A:GLU218
|
4.8
|
40.1
|
1.0
|
O
|
A:HIS216
|
4.8
|
18.2
|
1.0
|
NE2
|
A:HIS216
|
4.8
|
25.0
|
1.0
|
O
|
H:HOH3211
|
4.9
|
40.7
|
1.0
|
O
|
A:HOH3117
|
4.9
|
34.9
|
1.0
|
CA
|
A:HIS216
|
5.0
|
19.0
|
1.0
|
|
Magnesium binding site 7 out
of 62 in 2gx2
Go back to
Magnesium Binding Sites List in 2gx2
Magnesium binding site 7 out
of 62 in the Crystal Structural and Functional Analysis of Gfp-Like Fluorescent Protein Dronpa
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 7 of Crystal Structural and Functional Analysis of Gfp-Like Fluorescent Protein Dronpa within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg3029
b:56.2
occ:1.00
|
O
|
B:HOH3235
|
2.5
|
44.4
|
1.0
|
O
|
B:HOH3215
|
3.4
|
35.4
|
1.0
|
CB
|
B:LYS37
|
3.7
|
28.0
|
1.0
|
N
|
B:GLN38
|
4.2
|
16.3
|
1.0
|
C
|
B:LYS37
|
4.3
|
17.9
|
1.0
|
CA
|
B:GLN38
|
4.6
|
16.2
|
1.0
|
CD
|
B:LYS37
|
4.6
|
37.6
|
1.0
|
C
|
B:GLN38
|
4.6
|
15.9
|
1.0
|
CA
|
B:LYS37
|
4.6
|
19.8
|
1.0
|
O
|
B:LYS37
|
4.7
|
18.1
|
1.0
|
O
|
B:GLN38
|
4.7
|
15.7
|
1.0
|
CG
|
B:LYS37
|
4.7
|
33.3
|
1.0
|
OG
|
B:SER39
|
4.9
|
32.6
|
1.0
|
|
Magnesium binding site 8 out
of 62 in 2gx2
Go back to
Magnesium Binding Sites List in 2gx2
Magnesium binding site 8 out
of 62 in the Crystal Structural and Functional Analysis of Gfp-Like Fluorescent Protein Dronpa
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 8 of Crystal Structural and Functional Analysis of Gfp-Like Fluorescent Protein Dronpa within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg3037
b:36.0
occ:1.00
|
O
|
G:HOH3209
|
2.8
|
35.0
|
1.0
|
O
|
B:HOH3109
|
2.8
|
25.8
|
1.0
|
CB
|
B:ALA127
|
3.6
|
24.8
|
1.0
|
CA
|
B:ALA127
|
3.8
|
16.3
|
1.0
|
O
|
B:HOH3233
|
3.9
|
31.6
|
1.0
|
CE
|
B:MET132
|
4.0
|
15.4
|
1.0
|
CG
|
B:MET132
|
4.1
|
14.6
|
1.0
|
ND2
|
B:ASN19
|
4.1
|
12.9
|
1.0
|
CB
|
B:MET132
|
4.3
|
14.0
|
1.0
|
O
|
B:HOH3173
|
4.4
|
34.5
|
1.0
|
NZ
|
G:LYS178
|
4.4
|
20.4
|
1.0
|
N
|
B:ALA127
|
4.4
|
16.1
|
1.0
|
O
|
G:HOH3235
|
4.7
|
36.6
|
1.0
|
O
|
B:HOH3110
|
4.8
|
20.8
|
1.0
|
SD
|
B:MET132
|
4.8
|
16.9
|
1.0
|
O
|
B:PHE125
|
4.8
|
13.5
|
1.0
|
C
|
B:ALA127
|
4.9
|
16.4
|
1.0
|
O
|
B:HOH3132
|
5.0
|
30.6
|
1.0
|
|
Magnesium binding site 9 out
of 62 in 2gx2
Go back to
Magnesium Binding Sites List in 2gx2
Magnesium binding site 9 out
of 62 in the Crystal Structural and Functional Analysis of Gfp-Like Fluorescent Protein Dronpa
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 9 of Crystal Structural and Functional Analysis of Gfp-Like Fluorescent Protein Dronpa within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg3041
b:52.7
occ:1.00
|
O
|
B:HOH3128
|
3.0
|
27.6
|
1.0
|
O
|
B:HOH3190
|
3.5
|
40.1
|
1.0
|
CG2
|
B:ILE115
|
3.7
|
23.1
|
1.0
|
O
|
B:HOH3083
|
3.7
|
21.5
|
1.0
|
OE1
|
B:GLU117
|
3.7
|
43.0
|
1.0
|
CB
|
B:GLU117
|
4.0
|
28.8
|
1.0
|
CG
|
B:GLU117
|
4.4
|
34.6
|
1.0
|
CD
|
B:GLU117
|
4.5
|
39.3
|
1.0
|
CA
|
B:GLU117
|
4.6
|
15.4
|
1.0
|
O
|
B:TYR116
|
4.7
|
16.1
|
1.0
|
N
|
B:GLU117
|
4.8
|
15.4
|
1.0
|
C
|
B:TYR116
|
4.8
|
15.4
|
1.0
|
CB
|
B:ILE115
|
4.9
|
23.4
|
1.0
|
|
Magnesium binding site 10 out
of 62 in 2gx2
Go back to
Magnesium Binding Sites List in 2gx2
Magnesium binding site 10 out
of 62 in the Crystal Structural and Functional Analysis of Gfp-Like Fluorescent Protein Dronpa
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 10 of Crystal Structural and Functional Analysis of Gfp-Like Fluorescent Protein Dronpa within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg3042
b:37.7
occ:1.00
|
O
|
B:HOH3139
|
2.5
|
28.1
|
1.0
|
O
|
G:HOH3124
|
2.7
|
25.5
|
1.0
|
O
|
G:HOH3084
|
2.7
|
17.1
|
1.0
|
CB
|
B:ALA17
|
3.7
|
11.3
|
1.0
|
O
|
B:GLY20
|
4.1
|
17.4
|
1.0
|
CB
|
G:ARG119
|
4.1
|
14.3
|
1.0
|
CB
|
B:PRO22
|
4.2
|
18.0
|
1.0
|
CD
|
B:PRO22
|
4.2
|
18.4
|
1.0
|
CG
|
G:ARG119
|
4.3
|
16.2
|
1.0
|
O
|
G:HOH3090
|
4.5
|
15.7
|
1.0
|
N
|
B:PRO22
|
4.5
|
17.3
|
1.0
|
C
|
B:GLY20
|
4.5
|
16.7
|
1.0
|
CG
|
B:PRO22
|
4.6
|
19.8
|
1.0
|
O
|
B:HOH3159
|
4.6
|
27.7
|
1.0
|
OE2
|
G:GLU117
|
4.7
|
43.7
|
1.0
|
OG1
|
G:THR104
|
4.7
|
13.4
|
1.0
|
CD
|
G:ARG119
|
4.7
|
15.7
|
1.0
|
NH2
|
B:ARG119
|
4.7
|
17.5
|
1.0
|
CA
|
B:PRO22
|
4.8
|
16.7
|
1.0
|
O
|
G:HOH3136
|
4.8
|
30.2
|
1.0
|
O
|
G:HOH3111
|
4.9
|
21.1
|
1.0
|
O
|
B:HOH3182
|
4.9
|
40.1
|
1.0
|
CA
|
B:GLY20
|
5.0
|
16.6
|
1.0
|
O
|
B:HOH3072
|
5.0
|
13.3
|
1.0
|
|
Reference:
K.-H.Nam,
O.Y.Kwon,
K.Sugiyama,
W.-H.Lee,
Y.K.Kim,
H.K.Song,
E.E.Kim,
S.-Y.Park,
H.Jeon,
K.Y.Hwang.
Structural Characterization of the Photoswitchable Fluorescent Protein Dronpa-C62S Biochem.Biophys.Res.Commun. V. 354 962 2007.
ISSN: ISSN 0006-291X
PubMed: 17276392
DOI: 10.1016/J.BBRC.2007.01.086
Page generated: Tue Aug 13 23:37:18 2024
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