Magnesium in PDB 3gn6: Crystal Structure of CT0912, Orfan Protein From Chlorobium Tepidum with A Ferredoxin-Like Domain Repeat (NP_661805.1) From Chlorobium Tepidum Tls at 1.80 A Resolution
Protein crystallography data
The structure of Crystal Structure of CT0912, Orfan Protein From Chlorobium Tepidum with A Ferredoxin-Like Domain Repeat (NP_661805.1) From Chlorobium Tepidum Tls at 1.80 A Resolution, PDB code: 3gn6
was solved by
Joint Center For Structural Genomics (Jcsg),
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
46.83 /
1.80
|
Space group
|
P 21 21 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
121.268,
210.205,
57.984,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
16.3 /
19.2
|
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Crystal Structure of CT0912, Orfan Protein From Chlorobium Tepidum with A Ferredoxin-Like Domain Repeat (NP_661805.1) From Chlorobium Tepidum Tls at 1.80 A Resolution
(pdb code 3gn6). 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 of CT0912, Orfan Protein From Chlorobium Tepidum with A Ferredoxin-Like Domain Repeat (NP_661805.1) From Chlorobium Tepidum Tls at 1.80 A Resolution, PDB code: 3gn6:
Jump to Magnesium binding site number:
1;
2;
3;
4;
5;
Magnesium binding site 1 out
of 5 in 3gn6
Go back to
Magnesium Binding Sites List in 3gn6
Magnesium binding site 1 out
of 5 in the Crystal Structure of CT0912, Orfan Protein From Chlorobium Tepidum with A Ferredoxin-Like Domain Repeat (NP_661805.1) From Chlorobium Tepidum Tls at 1.80 A Resolution
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Crystal Structure of CT0912, Orfan Protein From Chlorobium Tepidum with A Ferredoxin-Like Domain Repeat (NP_661805.1) From Chlorobium Tepidum Tls at 1.80 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg321
b:15.0
occ:1.00
|
O
|
A:HOH417
|
2.0
|
16.0
|
1.0
|
OE1
|
A:GLU308
|
2.1
|
16.0
|
1.0
|
NE2
|
A:HIS282
|
2.1
|
11.6
|
1.0
|
NE2
|
A:HIS286
|
2.1
|
16.4
|
1.0
|
O
|
A:HOH330
|
2.2
|
13.7
|
1.0
|
OE2
|
A:GLU308
|
2.2
|
6.1
|
1.0
|
CD
|
A:GLU308
|
2.5
|
17.4
|
1.0
|
CE1
|
A:HIS282
|
3.0
|
12.9
|
1.0
|
CE1
|
A:HIS286
|
3.1
|
15.9
|
1.0
|
CD2
|
A:HIS286
|
3.2
|
14.8
|
1.0
|
CD2
|
A:HIS282
|
3.2
|
12.9
|
1.0
|
CG
|
A:GLU308
|
4.0
|
14.9
|
1.0
|
O
|
A:HOH343
|
4.0
|
17.6
|
1.0
|
O
|
A:HOH338
|
4.1
|
16.1
|
1.0
|
O
|
A:HOH651
|
4.1
|
21.3
|
1.0
|
ND1
|
A:HIS282
|
4.2
|
9.5
|
1.0
|
ND1
|
A:HIS286
|
4.2
|
13.1
|
1.0
|
O
|
A:HOH375
|
4.2
|
14.7
|
1.0
|
CG
|
A:HIS282
|
4.3
|
12.7
|
1.0
|
CG
|
A:HIS286
|
4.3
|
18.6
|
1.0
|
CG2
|
A:VAL87
|
4.6
|
11.8
|
1.0
|
CG2
|
A:VAL200
|
4.7
|
13.2
|
1.0
|
O3
|
A:GOL323
|
4.8
|
42.8
|
1.0
|
CB
|
A:VAL87
|
4.8
|
15.6
|
1.0
|
CB
|
A:GLU308
|
4.9
|
13.9
|
1.0
|
ND2
|
A:ASN202
|
4.9
|
27.9
|
1.0
|
|
Magnesium binding site 2 out
of 5 in 3gn6
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Magnesium Binding Sites List in 3gn6
Magnesium binding site 2 out
of 5 in the Crystal Structure of CT0912, Orfan Protein From Chlorobium Tepidum with A Ferredoxin-Like Domain Repeat (NP_661805.1) From Chlorobium Tepidum Tls at 1.80 A Resolution
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Crystal Structure of CT0912, Orfan Protein From Chlorobium Tepidum with A Ferredoxin-Like Domain Repeat (NP_661805.1) From Chlorobium Tepidum Tls at 1.80 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg322
b:29.5
occ:1.00
|
O
|
A:HOH337
|
2.1
|
14.1
|
1.0
|
O
|
A:HOH575
|
2.1
|
18.1
|
1.0
|
O
|
A:HOH342
|
2.1
|
14.8
|
1.0
|
O
|
A:HOH341
|
2.2
|
14.2
|
1.0
|
OD1
|
A:ASP320
|
2.2
|
17.9
|
1.0
|
O
|
A:HOH528
|
2.2
|
15.3
|
1.0
|
CG
|
A:ASP320
|
3.2
|
23.4
|
1.0
|
OD2
|
A:ASP320
|
3.5
|
14.0
|
1.0
|
O
|
A:VAL68
|
3.8
|
19.0
|
1.0
|
C
|
A:VAL68
|
4.1
|
19.3
|
1.0
|
O
|
A:ARG67
|
4.1
|
19.2
|
1.0
|
O
|
A:HOH608
|
4.1
|
31.5
|
1.0
|
O
|
A:LEU69
|
4.2
|
19.4
|
1.0
|
O
|
A:ASP320
|
4.2
|
25.6
|
1.0
|
O
|
A:HOH652
|
4.3
|
20.5
|
1.0
|
CA
|
A:VAL68
|
4.3
|
20.8
|
1.0
|
C
|
A:ASP320
|
4.6
|
26.8
|
1.0
|
CB
|
A:ASP320
|
4.6
|
24.9
|
1.0
|
C
|
A:LEU69
|
4.7
|
18.3
|
1.0
|
N
|
A:ASP320
|
4.7
|
21.7
|
1.0
|
O
|
A:HOH465
|
4.8
|
26.6
|
1.0
|
N
|
A:LEU69
|
4.9
|
18.7
|
1.0
|
CA
|
A:ASP320
|
4.9
|
24.6
|
1.0
|
|
Magnesium binding site 3 out
of 5 in 3gn6
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Magnesium Binding Sites List in 3gn6
Magnesium binding site 3 out
of 5 in the Crystal Structure of CT0912, Orfan Protein From Chlorobium Tepidum with A Ferredoxin-Like Domain Repeat (NP_661805.1) From Chlorobium Tepidum Tls at 1.80 A Resolution
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of Crystal Structure of CT0912, Orfan Protein From Chlorobium Tepidum with A Ferredoxin-Like Domain Repeat (NP_661805.1) From Chlorobium Tepidum Tls at 1.80 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg321
b:14.2
occ:1.00
|
O
|
B:HOH399
|
2.0
|
15.3
|
1.0
|
OE1
|
B:GLU308
|
2.0
|
15.7
|
1.0
|
NE2
|
B:HIS286
|
2.2
|
9.7
|
1.0
|
NE2
|
B:HIS282
|
2.2
|
12.4
|
1.0
|
OE2
|
B:GLU308
|
2.2
|
5.4
|
1.0
|
O
|
B:HOH337
|
2.3
|
18.5
|
1.0
|
CD
|
B:GLU308
|
2.4
|
16.0
|
1.0
|
CE1
|
B:HIS286
|
3.1
|
11.8
|
1.0
|
CE1
|
B:HIS282
|
3.2
|
14.7
|
1.0
|
CD2
|
B:HIS282
|
3.2
|
14.2
|
1.0
|
CD2
|
B:HIS286
|
3.2
|
15.6
|
1.0
|
O
|
B:HOH473
|
3.9
|
16.9
|
1.0
|
CG
|
B:GLU308
|
4.0
|
14.8
|
1.0
|
O
|
B:HOH335
|
4.1
|
16.4
|
1.0
|
O
|
B:HOH500
|
4.2
|
17.8
|
1.0
|
ND1
|
B:HIS286
|
4.2
|
15.2
|
1.0
|
ND1
|
B:HIS282
|
4.3
|
11.1
|
1.0
|
O
|
B:HOH509
|
4.3
|
18.1
|
1.0
|
CG
|
B:HIS282
|
4.3
|
13.4
|
1.0
|
CG
|
B:HIS286
|
4.3
|
16.8
|
1.0
|
CG2
|
B:VAL87
|
4.5
|
15.8
|
1.0
|
OD1
|
B:ASN202
|
4.6
|
34.9
|
0.5
|
CG2
|
B:VAL200
|
4.7
|
11.6
|
1.0
|
CB
|
B:VAL87
|
4.8
|
15.6
|
1.0
|
ND2
|
B:ASN202
|
4.8
|
15.8
|
0.5
|
CB
|
B:GLU308
|
4.8
|
13.1
|
1.0
|
O1
|
B:GOL323
|
5.0
|
31.0
|
1.0
|
|
Magnesium binding site 4 out
of 5 in 3gn6
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Magnesium Binding Sites List in 3gn6
Magnesium binding site 4 out
of 5 in the Crystal Structure of CT0912, Orfan Protein From Chlorobium Tepidum with A Ferredoxin-Like Domain Repeat (NP_661805.1) From Chlorobium Tepidum Tls at 1.80 A Resolution
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of Crystal Structure of CT0912, Orfan Protein From Chlorobium Tepidum with A Ferredoxin-Like Domain Repeat (NP_661805.1) From Chlorobium Tepidum Tls at 1.80 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg321
b:13.1
occ:1.00
|
O
|
C:HOH339
|
2.0
|
13.4
|
1.0
|
O
|
C:HOH372
|
2.0
|
14.1
|
1.0
|
OE1
|
C:GLU308
|
2.1
|
14.2
|
1.0
|
NE2
|
C:HIS282
|
2.1
|
12.2
|
1.0
|
NE2
|
C:HIS286
|
2.2
|
14.7
|
1.0
|
OE2
|
C:GLU308
|
2.2
|
4.6
|
1.0
|
CD
|
C:GLU308
|
2.4
|
14.3
|
1.0
|
CE1
|
C:HIS282
|
3.0
|
14.1
|
1.0
|
CE1
|
C:HIS286
|
3.1
|
15.0
|
1.0
|
CD2
|
C:HIS282
|
3.2
|
12.0
|
1.0
|
CD2
|
C:HIS286
|
3.2
|
10.2
|
1.0
|
CG
|
C:GLU308
|
4.0
|
13.1
|
1.0
|
O
|
C:HOH379
|
4.0
|
14.5
|
1.0
|
O
|
C:HOH355
|
4.1
|
13.3
|
1.0
|
O
|
C:HOH510
|
4.1
|
17.1
|
1.0
|
ND1
|
C:HIS282
|
4.2
|
13.5
|
1.0
|
ND1
|
C:HIS286
|
4.3
|
14.1
|
1.0
|
CG
|
C:HIS282
|
4.3
|
15.9
|
1.0
|
CG
|
C:HIS286
|
4.3
|
14.9
|
1.0
|
O
|
C:HOH387
|
4.4
|
14.8
|
1.0
|
CG2
|
C:VAL87
|
4.6
|
14.6
|
1.0
|
CG2
|
C:VAL200
|
4.7
|
11.1
|
1.0
|
ND2
|
C:ASN202
|
4.7
|
14.5
|
0.7
|
O3
|
C:GOL323
|
4.8
|
45.5
|
1.0
|
CB
|
C:VAL87
|
4.8
|
14.3
|
1.0
|
CB
|
C:GLU308
|
4.8
|
13.4
|
1.0
|
|
Magnesium binding site 5 out
of 5 in 3gn6
Go back to
Magnesium Binding Sites List in 3gn6
Magnesium binding site 5 out
of 5 in the Crystal Structure of CT0912, Orfan Protein From Chlorobium Tepidum with A Ferredoxin-Like Domain Repeat (NP_661805.1) From Chlorobium Tepidum Tls at 1.80 A Resolution
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 5 of Crystal Structure of CT0912, Orfan Protein From Chlorobium Tepidum with A Ferredoxin-Like Domain Repeat (NP_661805.1) From Chlorobium Tepidum Tls at 1.80 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg321
b:13.5
occ:1.00
|
O
|
D:HOH395
|
2.0
|
15.9
|
1.0
|
OE1
|
D:GLU308
|
2.1
|
15.2
|
1.0
|
NE2
|
D:HIS282
|
2.1
|
10.1
|
1.0
|
NE2
|
D:HIS286
|
2.2
|
12.8
|
1.0
|
OE2
|
D:GLU308
|
2.2
|
6.0
|
1.0
|
O
|
D:HOH531
|
2.2
|
18.5
|
1.0
|
CD
|
D:GLU308
|
2.4
|
13.6
|
1.0
|
CE1
|
D:HIS282
|
3.1
|
15.9
|
1.0
|
CE1
|
D:HIS286
|
3.1
|
13.3
|
1.0
|
CD2
|
D:HIS282
|
3.2
|
12.0
|
1.0
|
CD2
|
D:HIS286
|
3.2
|
13.4
|
1.0
|
CG
|
D:GLU308
|
3.9
|
15.7
|
1.0
|
O
|
D:HOH385
|
4.1
|
15.3
|
1.0
|
O
|
D:HOH588
|
4.2
|
19.2
|
1.0
|
O
|
D:HOH448
|
4.2
|
16.6
|
1.0
|
ND1
|
D:HIS282
|
4.2
|
12.1
|
1.0
|
ND1
|
D:HIS286
|
4.3
|
13.2
|
1.0
|
CG
|
D:HIS282
|
4.3
|
12.2
|
1.0
|
O
|
D:HOH412
|
4.3
|
16.3
|
1.0
|
CG
|
D:HIS286
|
4.3
|
16.0
|
1.0
|
ND2
|
D:ASN202
|
4.5
|
6.6
|
0.5
|
CG2
|
D:VAL87
|
4.6
|
15.5
|
1.0
|
CG2
|
D:VAL200
|
4.7
|
14.7
|
1.0
|
CB
|
D:VAL87
|
4.7
|
13.8
|
1.0
|
CB
|
D:GLU308
|
4.8
|
14.5
|
1.0
|
O3
|
D:GOL322
|
4.9
|
43.8
|
1.0
|
|
Reference:
Joint Center For Structural Genomics (Jcsg),
Joint Center For Structural Genomics (Jcsg).
N/A N/A.
Page generated: Wed Aug 14 14:50:47 2024
|