Magnesium in PDB 1tqy: The Actinorhodin Ketosynthase/Chain Length Factor
Protein crystallography data
The structure of The Actinorhodin Ketosynthase/Chain Length Factor, PDB code: 1tqy
was solved by
A.T.Keatinge-Clay,
D.A.Maltby,
K.F.Medzihradszky,
C.Khosla,
R.M.Stroud,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
50.00 /
2.00
|
Space group
|
H 3
|
Cell size a, b, c (Å), α, β, γ (°)
|
262.700,
262.700,
224.030,
90.00,
90.00,
120.00
|
R / Rfree (%)
|
23.3 /
25.3
|
Other elements in 1tqy:
The structure of The Actinorhodin Ketosynthase/Chain Length Factor also contains other interesting chemical elements:
Magnesium Binding Sites:
The binding sites of Magnesium atom in the The Actinorhodin Ketosynthase/Chain Length Factor
(pdb code 1tqy). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the
The Actinorhodin Ketosynthase/Chain Length Factor, PDB code: 1tqy:
Jump to Magnesium binding site number:
1;
2;
3;
4;
Magnesium binding site 1 out
of 4 in 1tqy
Go back to
Magnesium Binding Sites List in 1tqy
Magnesium binding site 1 out
of 4 in the The Actinorhodin Ketosynthase/Chain Length Factor
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of The Actinorhodin Ketosynthase/Chain Length Factor within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg1095
b:51.4
occ:1.00
|
OD1
|
A:ASN307
|
2.0
|
30.0
|
1.0
|
O
|
A:ASN307
|
2.2
|
29.3
|
1.0
|
OE1
|
A:GLU355
|
2.4
|
32.2
|
1.0
|
O
|
A:ALA308
|
2.5
|
25.6
|
1.0
|
O
|
A:VAL401
|
2.5
|
25.3
|
1.0
|
OG1
|
A:THR400
|
2.9
|
30.2
|
1.0
|
C
|
A:ALA308
|
3.1
|
28.6
|
1.0
|
C
|
A:ASN307
|
3.1
|
29.4
|
1.0
|
CD
|
A:GLU355
|
3.1
|
30.7
|
1.0
|
CG
|
A:ASN307
|
3.2
|
31.1
|
1.0
|
N
|
A:VAL401
|
3.3
|
27.9
|
1.0
|
C
|
A:VAL401
|
3.6
|
27.8
|
1.0
|
OE2
|
A:GLU355
|
3.6
|
33.6
|
1.0
|
N
|
A:ALA308
|
3.7
|
28.7
|
1.0
|
CA
|
A:ALA308
|
3.7
|
29.2
|
1.0
|
N
|
A:HIS309
|
3.8
|
27.6
|
1.0
|
CB
|
A:ASN307
|
3.8
|
30.2
|
1.0
|
CB
|
A:THR400
|
4.0
|
30.4
|
1.0
|
CA
|
A:THR400
|
4.0
|
29.9
|
1.0
|
CA
|
A:VAL401
|
4.1
|
27.7
|
1.0
|
C
|
A:THR400
|
4.1
|
29.2
|
1.0
|
CA
|
A:ASN307
|
4.1
|
29.5
|
1.0
|
O
|
A:HOH1141
|
4.1
|
27.3
|
1.0
|
CA
|
A:HIS309
|
4.1
|
29.2
|
1.0
|
CG
|
A:GLU355
|
4.2
|
26.0
|
1.0
|
ND2
|
A:ASN307
|
4.2
|
32.7
|
1.0
|
CB
|
A:GLU355
|
4.3
|
23.9
|
1.0
|
O
|
A:HOH1101
|
4.3
|
34.1
|
1.0
|
CG2
|
A:VAL401
|
4.7
|
25.1
|
1.0
|
N
|
A:GLY402
|
4.8
|
26.4
|
1.0
|
|
Magnesium binding site 2 out
of 4 in 1tqy
Go back to
Magnesium Binding Sites List in 1tqy
Magnesium binding site 2 out
of 4 in the The Actinorhodin Ketosynthase/Chain Length Factor
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of The Actinorhodin Ketosynthase/Chain Length Factor within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg1096
b:39.8
occ:1.00
|
OD1
|
C:ASN307
|
2.0
|
35.1
|
1.0
|
OE1
|
C:GLU355
|
2.2
|
34.7
|
1.0
|
O
|
C:ASN307
|
2.2
|
30.0
|
1.0
|
O
|
C:ALA308
|
2.5
|
24.9
|
1.0
|
OG1
|
C:THR400
|
2.7
|
30.7
|
1.0
|
O
|
C:VAL401
|
2.8
|
27.0
|
1.0
|
CD
|
C:GLU355
|
3.0
|
33.3
|
1.0
|
C
|
C:ASN307
|
3.1
|
31.0
|
1.0
|
CG
|
C:ASN307
|
3.2
|
35.2
|
1.0
|
C
|
C:ALA308
|
3.2
|
27.8
|
1.0
|
N
|
C:VAL401
|
3.4
|
28.3
|
1.0
|
OE2
|
C:GLU355
|
3.6
|
33.3
|
1.0
|
CB
|
C:ASN307
|
3.8
|
32.7
|
1.0
|
C
|
C:VAL401
|
3.8
|
28.4
|
1.0
|
N
|
C:ALA308
|
3.8
|
29.6
|
1.0
|
CA
|
C:ALA308
|
3.9
|
29.2
|
1.0
|
CB
|
C:THR400
|
3.9
|
29.8
|
1.0
|
N
|
C:HIS309
|
4.0
|
27.5
|
1.0
|
CG
|
C:GLU355
|
4.0
|
28.8
|
1.0
|
CA
|
C:ASN307
|
4.1
|
31.2
|
1.0
|
CB
|
C:GLU355
|
4.1
|
26.2
|
1.0
|
CA
|
C:THR400
|
4.1
|
29.7
|
1.0
|
C
|
C:THR400
|
4.2
|
29.4
|
1.0
|
O
|
C:HOH1107
|
4.2
|
31.4
|
1.0
|
CA
|
C:VAL401
|
4.2
|
27.6
|
1.0
|
CA
|
C:HIS309
|
4.3
|
28.7
|
1.0
|
ND2
|
C:ASN307
|
4.3
|
36.7
|
1.0
|
O
|
C:HOH1119
|
4.3
|
27.9
|
1.0
|
CG2
|
C:VAL401
|
4.7
|
30.5
|
1.0
|
N
|
C:GLY402
|
5.0
|
26.2
|
1.0
|
|
Magnesium binding site 3 out
of 4 in 1tqy
Go back to
Magnesium Binding Sites List in 1tqy
Magnesium binding site 3 out
of 4 in the The Actinorhodin Ketosynthase/Chain Length Factor
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of The Actinorhodin Ketosynthase/Chain Length Factor within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Mg1097
b:47.6
occ:1.00
|
OE1
|
E:GLU355
|
2.2
|
39.4
|
1.0
|
OD1
|
E:ASN307
|
2.2
|
41.5
|
1.0
|
O
|
E:ASN307
|
2.6
|
39.0
|
1.0
|
O
|
E:ALA308
|
2.6
|
36.9
|
1.0
|
O
|
E:VAL401
|
2.6
|
34.0
|
1.0
|
CD
|
E:GLU355
|
2.7
|
38.2
|
1.0
|
OG1
|
E:THR400
|
2.9
|
36.0
|
1.0
|
OE2
|
E:GLU355
|
3.0
|
40.9
|
1.0
|
C
|
E:ALA308
|
3.2
|
37.8
|
1.0
|
CG
|
E:ASN307
|
3.4
|
40.9
|
1.0
|
C
|
E:ASN307
|
3.4
|
39.5
|
1.0
|
N
|
E:VAL401
|
3.7
|
35.0
|
1.0
|
C
|
E:VAL401
|
3.7
|
35.2
|
1.0
|
CG
|
E:GLU355
|
3.9
|
36.3
|
1.0
|
N
|
E:HIS309
|
3.9
|
38.2
|
1.0
|
O
|
E:HOH1148
|
3.9
|
30.9
|
1.0
|
CB
|
E:GLU355
|
4.0
|
35.6
|
1.0
|
N
|
E:ALA308
|
4.0
|
38.6
|
1.0
|
CA
|
E:ALA308
|
4.0
|
38.6
|
1.0
|
CB
|
E:ASN307
|
4.1
|
40.7
|
1.0
|
CA
|
E:HIS309
|
4.1
|
37.9
|
1.0
|
CB
|
E:THR400
|
4.1
|
36.5
|
1.0
|
CA
|
E:VAL401
|
4.3
|
35.8
|
1.0
|
C
|
E:THR400
|
4.4
|
35.6
|
1.0
|
CA
|
E:ASN307
|
4.4
|
40.0
|
1.0
|
CA
|
E:THR400
|
4.4
|
35.8
|
1.0
|
ND2
|
E:ASN307
|
4.5
|
41.4
|
1.0
|
N
|
E:GLY402
|
4.8
|
33.7
|
1.0
|
CG2
|
E:VAL401
|
4.9
|
34.4
|
1.0
|
|
Magnesium binding site 4 out
of 4 in 1tqy
Go back to
Magnesium Binding Sites List in 1tqy
Magnesium binding site 4 out
of 4 in the The Actinorhodin Ketosynthase/Chain Length Factor
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of The Actinorhodin Ketosynthase/Chain Length Factor within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Mg1098
b:35.7
occ:1.00
|
OE1
|
G:GLU355
|
2.2
|
30.9
|
1.0
|
OD1
|
G:ASN307
|
2.3
|
32.6
|
1.0
|
O
|
G:ALA308
|
2.5
|
26.3
|
1.0
|
O
|
G:VAL401
|
2.6
|
25.1
|
1.0
|
O
|
G:ASN307
|
2.8
|
28.0
|
1.0
|
OG1
|
G:THR400
|
2.8
|
28.9
|
1.0
|
CD
|
G:GLU355
|
2.8
|
31.3
|
1.0
|
C
|
G:ALA308
|
3.3
|
27.1
|
1.0
|
OE2
|
G:GLU355
|
3.4
|
33.4
|
1.0
|
CG
|
G:ASN307
|
3.5
|
31.9
|
1.0
|
N
|
G:VAL401
|
3.6
|
25.1
|
1.0
|
C
|
G:ASN307
|
3.6
|
29.0
|
1.0
|
C
|
G:VAL401
|
3.7
|
24.9
|
1.0
|
CG
|
G:GLU355
|
3.7
|
28.8
|
1.0
|
O
|
G:HOH1133
|
3.8
|
25.5
|
1.0
|
CB
|
G:GLU355
|
3.9
|
23.9
|
1.0
|
N
|
G:HIS309
|
3.9
|
26.1
|
1.0
|
CB
|
G:THR400
|
4.1
|
28.8
|
1.0
|
CA
|
G:HIS309
|
4.1
|
27.1
|
1.0
|
CA
|
G:ALA308
|
4.1
|
27.4
|
1.0
|
N
|
G:ALA308
|
4.2
|
28.7
|
1.0
|
C
|
G:THR400
|
4.2
|
26.9
|
1.0
|
CA
|
G:THR400
|
4.2
|
28.6
|
1.0
|
CA
|
G:VAL401
|
4.3
|
24.9
|
1.0
|
CB
|
G:ASN307
|
4.3
|
30.3
|
1.0
|
O
|
G:HOH1140
|
4.4
|
31.7
|
1.0
|
ND2
|
G:ASN307
|
4.6
|
33.3
|
1.0
|
CA
|
G:ASN307
|
4.6
|
28.4
|
1.0
|
N
|
G:GLY402
|
4.8
|
24.7
|
1.0
|
CG2
|
G:VAL401
|
4.9
|
26.5
|
1.0
|
CB
|
G:HIS309
|
5.0
|
27.2
|
1.0
|
|
Reference:
A.T.Keatinge-Clay,
D.A.Maltby,
K.F.Medzihradszky,
C.Khosla,
R.M.Stroud.
An Antibiotic Factory Caught in Action. Nat.Struct.Mol.Biol. V. 11 888 2004.
ISSN: ISSN 1545-9993
PubMed: 15286722
DOI: 10.1038/NSMB808
Page generated: Tue Aug 13 14:37:38 2024
|