Cobalt in PDB 6utp: Lare, A Sulfur Transferase Involved in Synthesis of the Cofactor For Lactate Racemase in Complex with Cobalt
Protein crystallography data
The structure of Lare, A Sulfur Transferase Involved in Synthesis of the Cofactor For Lactate Racemase in Complex with Cobalt, PDB code: 6utp
was solved by
M.Fellner,
K.Huizenga,
R.P.Hausinger,
J.Hu,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
87.93 /
3.55
|
Space group
|
P 41 2 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
106.210,
106.210,
313.550,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
23.1 /
29.8
|
Cobalt Binding Sites:
The binding sites of Cobalt atom in the Lare, A Sulfur Transferase Involved in Synthesis of the Cofactor For Lactate Racemase in Complex with Cobalt
(pdb code 6utp). This binding sites where shown within
5.0 Angstroms radius around Cobalt atom.
In total 6 binding sites of Cobalt where determined in the
Lare, A Sulfur Transferase Involved in Synthesis of the Cofactor For Lactate Racemase in Complex with Cobalt, PDB code: 6utp:
Jump to Cobalt binding site number:
1;
2;
3;
4;
5;
6;
Cobalt binding site 1 out
of 6 in 6utp
Go back to
Cobalt Binding Sites List in 6utp
Cobalt binding site 1 out
of 6 in the Lare, A Sulfur Transferase Involved in Synthesis of the Cofactor For Lactate Racemase in Complex with Cobalt
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 1 of Lare, A Sulfur Transferase Involved in Synthesis of the Cofactor For Lactate Racemase in Complex with Cobalt within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Co302
b:71.8
occ:1.00
|
NE2
|
A:HIS190
|
2.0
|
65.1
|
1.0
|
O
|
A:HOH403
|
2.3
|
66.9
|
1.0
|
O
|
A:HOH401
|
2.7
|
64.3
|
1.0
|
O
|
A:HOH404
|
2.8
|
58.6
|
1.0
|
CE1
|
A:HIS190
|
3.0
|
65.1
|
1.0
|
CD2
|
A:HIS190
|
3.0
|
65.1
|
1.0
|
O2
|
A:SO4305
|
3.8
|
65.8
|
0.8
|
ND1
|
A:HIS190
|
4.1
|
65.1
|
1.0
|
CG
|
A:HIS190
|
4.1
|
65.1
|
1.0
|
O1
|
A:SO4305
|
4.4
|
65.8
|
0.8
|
S
|
A:SO4305
|
4.7
|
65.8
|
0.8
|
OD2
|
A:ASP82
|
4.8
|
66.0
|
1.0
|
|
Cobalt binding site 2 out
of 6 in 6utp
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Cobalt Binding Sites List in 6utp
Cobalt binding site 2 out
of 6 in the Lare, A Sulfur Transferase Involved in Synthesis of the Cofactor For Lactate Racemase in Complex with Cobalt
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 2 of Lare, A Sulfur Transferase Involved in Synthesis of the Cofactor For Lactate Racemase in Complex with Cobalt within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Co303
b:57.3
occ:0.85
|
OD1
|
C:ASP231
|
2.1
|
55.5
|
1.0
|
OD2
|
C:ASP231
|
2.1
|
55.5
|
1.0
|
OD2
|
B:ASP231
|
2.1
|
53.3
|
1.0
|
OD2
|
A:ASP231
|
2.1
|
53.6
|
1.0
|
OD1
|
A:ASP231
|
2.1
|
53.6
|
1.0
|
OD1
|
B:ASP231
|
2.2
|
53.3
|
1.0
|
CG
|
C:ASP231
|
2.4
|
55.5
|
1.0
|
CG
|
A:ASP231
|
2.4
|
53.6
|
1.0
|
CG
|
B:ASP231
|
2.5
|
53.3
|
1.0
|
O
|
A:HOH402
|
2.7
|
49.8
|
0.8
|
CB
|
C:ASP231
|
3.9
|
55.5
|
1.0
|
CB
|
A:ASP231
|
4.0
|
53.6
|
1.0
|
CB
|
B:ASP231
|
4.0
|
53.3
|
1.0
|
N
|
C:ASP231
|
4.6
|
55.5
|
1.0
|
CA
|
C:ASP231
|
4.6
|
55.5
|
1.0
|
O
|
C:ALA227
|
4.7
|
56.0
|
1.0
|
CA
|
A:ASP231
|
4.8
|
53.6
|
1.0
|
NE
|
B:ARG228
|
4.9
|
51.2
|
1.0
|
N
|
A:ASP231
|
4.9
|
53.6
|
1.0
|
CA
|
B:ASP231
|
4.9
|
53.3
|
1.0
|
O
|
A:ALA227
|
5.0
|
53.9
|
1.0
|
|
Cobalt binding site 3 out
of 6 in 6utp
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Cobalt Binding Sites List in 6utp
Cobalt binding site 3 out
of 6 in the Lare, A Sulfur Transferase Involved in Synthesis of the Cofactor For Lactate Racemase in Complex with Cobalt
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 3 of Lare, A Sulfur Transferase Involved in Synthesis of the Cofactor For Lactate Racemase in Complex with Cobalt within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Co302
b:79.4
occ:1.00
|
NE2
|
C:HIS190
|
2.3
|
70.9
|
1.0
|
O
|
C:HOH401
|
2.5
|
75.2
|
1.0
|
O
|
C:HOH402
|
2.5
|
70.5
|
1.0
|
O
|
C:HOH403
|
3.0
|
74.8
|
1.0
|
CE1
|
C:HIS190
|
3.2
|
70.9
|
1.0
|
CD2
|
C:HIS190
|
3.3
|
70.9
|
1.0
|
OD2
|
C:ASP82
|
4.0
|
78.4
|
1.0
|
ND1
|
C:HIS190
|
4.4
|
70.9
|
1.0
|
CG
|
C:HIS190
|
4.4
|
70.9
|
1.0
|
O4
|
C:SO4303
|
4.5
|
71.8
|
0.8
|
O1
|
C:SO4303
|
4.7
|
71.8
|
0.8
|
OD1
|
C:ASP82
|
4.8
|
78.4
|
1.0
|
CG
|
C:ASP82
|
4.9
|
78.4
|
1.0
|
|
Cobalt binding site 4 out
of 6 in 6utp
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Cobalt Binding Sites List in 6utp
Cobalt binding site 4 out
of 6 in the Lare, A Sulfur Transferase Involved in Synthesis of the Cofactor For Lactate Racemase in Complex with Cobalt
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 4 of Lare, A Sulfur Transferase Involved in Synthesis of the Cofactor For Lactate Racemase in Complex with Cobalt within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Co302
b:58.7
occ:0.82
|
OD2
|
F:ASP231
|
2.1
|
56.3
|
1.0
|
OD2
|
E:ASP231
|
2.1
|
56.9
|
1.0
|
OD2
|
D:ASP231
|
2.1
|
54.9
|
1.0
|
OD1
|
D:ASP231
|
2.1
|
54.9
|
1.0
|
OD1
|
F:ASP231
|
2.1
|
56.3
|
1.0
|
OD1
|
E:ASP231
|
2.1
|
56.9
|
1.0
|
O
|
F:HOH401
|
2.2
|
53.4
|
0.8
|
CG
|
D:ASP231
|
2.3
|
54.9
|
1.0
|
CG
|
F:ASP231
|
2.4
|
56.3
|
1.0
|
CG
|
E:ASP231
|
2.4
|
56.9
|
1.0
|
CB
|
D:ASP231
|
3.8
|
54.9
|
1.0
|
CB
|
F:ASP231
|
3.9
|
56.3
|
1.0
|
CB
|
E:ASP231
|
3.9
|
56.9
|
1.0
|
N
|
D:ASP231
|
4.5
|
54.9
|
1.0
|
CA
|
D:ASP231
|
4.5
|
54.9
|
1.0
|
CA
|
E:ASP231
|
4.7
|
56.9
|
1.0
|
CA
|
F:ASP231
|
4.7
|
56.3
|
1.0
|
N
|
E:ASP231
|
4.8
|
56.9
|
1.0
|
N
|
F:ASP231
|
4.8
|
56.3
|
1.0
|
O
|
D:ALA227
|
4.8
|
54.3
|
1.0
|
NE
|
D:ARG228
|
4.9
|
53.7
|
1.0
|
NE
|
E:ARG228
|
5.0
|
59.5
|
1.0
|
|
Cobalt binding site 5 out
of 6 in 6utp
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Cobalt Binding Sites List in 6utp
Cobalt binding site 5 out
of 6 in the Lare, A Sulfur Transferase Involved in Synthesis of the Cofactor For Lactate Racemase in Complex with Cobalt
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 5 of Lare, A Sulfur Transferase Involved in Synthesis of the Cofactor For Lactate Racemase in Complex with Cobalt within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Co303
b:76.7
occ:0.95
|
CE1
|
D:HIS190
|
2.4
|
65.6
|
1.0
|
NE2
|
D:HIS190
|
2.5
|
65.6
|
1.0
|
O
|
D:HOH401
|
2.6
|
66.7
|
0.9
|
O
|
D:HOH403
|
2.8
|
66.4
|
0.9
|
O
|
D:HOH402
|
2.8
|
68.3
|
0.9
|
ND1
|
D:HIS190
|
3.7
|
65.6
|
1.0
|
CD2
|
D:HIS190
|
3.9
|
65.6
|
1.0
|
O3
|
D:SO4305
|
4.1
|
66.9
|
0.8
|
OD1
|
D:ASP82
|
4.3
|
66.5
|
1.0
|
CB
|
D:LEU84
|
4.4
|
66.4
|
1.0
|
CG
|
D:HIS190
|
4.4
|
65.6
|
1.0
|
OE2
|
D:GLU55
|
4.5
|
68.3
|
1.0
|
O2
|
D:SO4305
|
4.6
|
66.9
|
0.8
|
OD2
|
D:ASP82
|
4.6
|
66.5
|
1.0
|
CG
|
D:ASP82
|
4.9
|
66.5
|
1.0
|
S
|
D:SO4305
|
5.0
|
66.9
|
0.8
|
|
Cobalt binding site 6 out
of 6 in 6utp
Go back to
Cobalt Binding Sites List in 6utp
Cobalt binding site 6 out
of 6 in the Lare, A Sulfur Transferase Involved in Synthesis of the Cofactor For Lactate Racemase in Complex with Cobalt
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 6 of Lare, A Sulfur Transferase Involved in Synthesis of the Cofactor For Lactate Racemase in Complex with Cobalt within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Co302
b:86.4
occ:0.80
|
OD2
|
F:ASP82
|
2.2
|
74.8
|
1.0
|
O
|
F:HOH402
|
2.5
|
73.0
|
0.8
|
NE2
|
F:HIS190
|
2.6
|
74.4
|
1.0
|
O
|
F:HOH403
|
2.8
|
64.0
|
0.8
|
CE1
|
F:HIS190
|
2.9
|
74.4
|
1.0
|
CG
|
F:ASP82
|
3.2
|
74.8
|
1.0
|
OD1
|
F:ASP82
|
3.5
|
74.8
|
1.0
|
CD2
|
F:HIS190
|
4.0
|
74.4
|
1.0
|
ND1
|
F:HIS190
|
4.2
|
74.4
|
1.0
|
CB
|
F:ASP82
|
4.6
|
74.8
|
1.0
|
CG
|
F:HIS190
|
4.7
|
74.4
|
1.0
|
CB
|
F:LEU84
|
4.8
|
72.0
|
1.0
|
|
Reference:
M.Fellner,
M.Fellner,
K.Huizenga,
R.P.Hausinger,
J.Hu.
N/A N/A.
Page generated: Tue Jul 30 19:00:07 2024
|