Gold in PDB 3odm: Archaeal-Type Phosphoenolpyruvate Carboxylase
Enzymatic activity of Archaeal-Type Phosphoenolpyruvate Carboxylase
All present enzymatic activity of Archaeal-Type Phosphoenolpyruvate Carboxylase:
4.1.1.31;
Protein crystallography data
The structure of Archaeal-Type Phosphoenolpyruvate Carboxylase, PDB code: 3odm
was solved by
P.W.Dunten,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
56.84 /
2.95
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
121.420,
161.580,
279.980,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
17.8 /
22.3
|
Gold Binding Sites:
Gold binding site 1 out
of 36 in 3odm
Go back to
Gold Binding Sites List in 3odm
Gold binding site 1 out
of 36 in the Archaeal-Type Phosphoenolpyruvate Carboxylase
Mono view
Stereo pair view
|
A full contact list of Gold with other atoms in the Au binding
site number 1 of Archaeal-Type Phosphoenolpyruvate Carboxylase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Au607
b:67.5
occ:0.99
|
AU
|
A:AUC607
|
0.0
|
67.5
|
1.0
|
C2
|
A:AUC607
|
1.8
|
65.8
|
1.0
|
C1
|
A:AUC607
|
1.8
|
66.3
|
1.0
|
N2
|
A:AUC607
|
3.0
|
65.3
|
1.0
|
N1
|
A:AUC607
|
3.0
|
66.1
|
1.0
|
OD2
|
A:ASP48
|
3.6
|
49.0
|
1.0
|
NE2
|
A:HIS11
|
3.6
|
43.9
|
1.0
|
CD2
|
A:HIS11
|
3.7
|
43.5
|
1.0
|
CE1
|
A:HIS11
|
3.7
|
42.8
|
1.0
|
CG
|
A:HIS11
|
3.8
|
41.3
|
1.0
|
ND1
|
A:HIS11
|
3.8
|
41.9
|
1.0
|
CG
|
A:ASP48
|
3.9
|
45.5
|
1.0
|
NH1
|
A:ARG82
|
4.1
|
40.5
|
1.0
|
CA
|
A:HIS11
|
4.1
|
40.8
|
1.0
|
CZ
|
A:ARG82
|
4.2
|
42.0
|
1.0
|
N
|
A:HIS11
|
4.2
|
40.2
|
1.0
|
CB
|
A:ASP48
|
4.2
|
42.0
|
1.0
|
NH2
|
A:ARG344
|
4.3
|
57.9
|
1.0
|
NE
|
A:ARG82
|
4.3
|
40.9
|
1.0
|
C
|
A:GLN10
|
4.3
|
40.4
|
1.0
|
CD
|
A:ARG82
|
4.4
|
38.8
|
1.0
|
OD1
|
A:ASP48
|
4.4
|
48.8
|
1.0
|
O
|
A:GLN10
|
4.4
|
41.0
|
1.0
|
O
|
A:HOH762
|
4.5
|
30.6
|
1.0
|
CB
|
A:HIS11
|
4.6
|
41.0
|
1.0
|
NH2
|
A:ARG82
|
4.7
|
44.4
|
1.0
|
O8
|
A:MLI901
|
4.9
|
41.5
|
0.7
|
N
|
A:GLN10
|
4.9
|
39.5
|
1.0
|
CD
|
A:PRO12
|
4.9
|
42.2
|
1.0
|
|
Gold binding site 2 out
of 36 in 3odm
Go back to
Gold Binding Sites List in 3odm
Gold binding site 2 out
of 36 in the Archaeal-Type Phosphoenolpyruvate Carboxylase
Mono view
Stereo pair view
|
A full contact list of Gold with other atoms in the Au binding
site number 2 of Archaeal-Type Phosphoenolpyruvate Carboxylase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Au608
b:74.7
occ:1.00
|
SG
|
A:CYS5
|
1.5
|
58.6
|
1.0
|
CB
|
A:CYS5
|
3.1
|
57.0
|
1.0
|
N
|
A:CYS5
|
3.4
|
55.9
|
1.0
|
CA
|
A:CYS5
|
3.8
|
55.1
|
1.0
|
CG2
|
A:ILE293
|
3.8
|
62.4
|
1.0
|
CG
|
A:LYS290
|
4.0
|
61.8
|
1.0
|
OE1
|
A:GLU43
|
4.1
|
63.2
|
1.0
|
CA
|
A:LYS290
|
4.1
|
61.3
|
1.0
|
CB
|
A:LYS290
|
4.4
|
62.2
|
1.0
|
CD
|
A:LYS290
|
4.4
|
66.0
|
1.0
|
C
|
A:PRO4
|
4.5
|
55.2
|
1.0
|
CB
|
A:ILE293
|
4.6
|
60.2
|
1.0
|
O
|
A:LYS290
|
4.6
|
64.5
|
1.0
|
CG1
|
A:ILE293
|
4.8
|
58.5
|
1.0
|
CA
|
A:PRO4
|
4.8
|
56.3
|
1.0
|
C
|
A:LYS290
|
4.9
|
63.7
|
1.0
|
N
|
A:LYS290
|
5.0
|
59.5
|
1.0
|
C
|
A:CYS5
|
5.0
|
53.0
|
1.0
|
|
Gold binding site 3 out
of 36 in 3odm
Go back to
Gold Binding Sites List in 3odm
Gold binding site 3 out
of 36 in the Archaeal-Type Phosphoenolpyruvate Carboxylase
Mono view
Stereo pair view
|
A full contact list of Gold with other atoms in the Au binding
site number 3 of Archaeal-Type Phosphoenolpyruvate Carboxylase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Au624
b:71.8
occ:0.24
|
OE2
|
A:GLU279
|
2.9
|
74.2
|
1.0
|
CD
|
A:GLU279
|
3.1
|
72.4
|
1.0
|
OE1
|
A:GLU279
|
3.1
|
72.8
|
1.0
|
CD2
|
A:LEU40
|
3.4
|
52.3
|
1.0
|
O
|
A:GLY38
|
3.5
|
65.1
|
1.0
|
CG
|
A:LEU40
|
3.7
|
51.8
|
1.0
|
C
|
A:GLY39
|
4.0
|
59.2
|
1.0
|
N
|
A:LEU40
|
4.1
|
56.1
|
1.0
|
CG
|
A:GLU279
|
4.2
|
69.0
|
1.0
|
CA
|
A:GLY39
|
4.3
|
60.6
|
1.0
|
O
|
A:GLY39
|
4.3
|
61.3
|
1.0
|
NZ
|
A:LYS30
|
4.3
|
68.8
|
1.0
|
CG
|
A:LYS30
|
4.3
|
57.2
|
1.0
|
C
|
A:GLY38
|
4.4
|
65.8
|
1.0
|
NZ
|
A:LYS283
|
4.5
|
66.4
|
1.0
|
CE
|
A:LYS30
|
4.5
|
67.5
|
1.0
|
CA
|
A:LEU40
|
4.5
|
54.6
|
1.0
|
CD
|
A:LYS283
|
4.7
|
61.7
|
1.0
|
CB
|
A:GLU279
|
4.7
|
67.8
|
1.0
|
CB
|
A:LEU40
|
4.7
|
52.4
|
1.0
|
N
|
A:GLY39
|
4.8
|
64.4
|
1.0
|
CD1
|
A:LEU40
|
4.8
|
49.6
|
1.0
|
CD
|
A:LYS30
|
5.0
|
63.9
|
1.0
|
|
Gold binding site 4 out
of 36 in 3odm
Go back to
Gold Binding Sites List in 3odm
Gold binding site 4 out
of 36 in the Archaeal-Type Phosphoenolpyruvate Carboxylase
Mono view
Stereo pair view
|
A full contact list of Gold with other atoms in the Au binding
site number 4 of Archaeal-Type Phosphoenolpyruvate Carboxylase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Au631
b:59.9
occ:0.14
|
AU
|
A:AUC631
|
0.0
|
59.9
|
0.1
|
C2
|
A:AUC631
|
1.8
|
58.7
|
0.2
|
C1
|
A:AUC631
|
1.8
|
58.5
|
0.2
|
O
|
A:ASP36
|
2.8
|
79.7
|
1.0
|
N2
|
A:AUC631
|
3.0
|
58.5
|
0.2
|
N1
|
A:AUC631
|
3.0
|
57.9
|
0.2
|
C
|
A:ASP36
|
3.9
|
76.6
|
1.0
|
CA
|
A:LYS37
|
4.0
|
73.7
|
1.0
|
CG
|
A:LYS37
|
4.0
|
75.5
|
1.0
|
N
|
A:LYS37
|
4.4
|
73.8
|
1.0
|
CB
|
A:LYS37
|
4.5
|
72.6
|
1.0
|
CE
|
A:LYS37
|
4.8
|
81.8
|
1.0
|
|
Gold binding site 5 out
of 36 in 3odm
Go back to
Gold Binding Sites List in 3odm
Gold binding site 5 out
of 36 in the Archaeal-Type Phosphoenolpyruvate Carboxylase
Mono view
Stereo pair view
|
A full contact list of Gold with other atoms in the Au binding
site number 5 of Archaeal-Type Phosphoenolpyruvate Carboxylase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Au630
b:0.1
occ:0.23
|
CE
|
H:MET144
|
2.5
|
70.7
|
1.0
|
CE
|
B:MET144
|
3.1
|
76.5
|
1.0
|
SD
|
H:MET144
|
3.1
|
73.5
|
0.0
|
SD
|
B:MET144
|
3.3
|
76.4
|
1.0
|
CG
|
H:MET144
|
4.4
|
74.1
|
1.0
|
CG
|
B:MET144
|
4.4
|
70.8
|
1.0
|
CD1
|
H:LEU95
|
4.5
|
57.1
|
1.0
|
|
Gold binding site 6 out
of 36 in 3odm
Go back to
Gold Binding Sites List in 3odm
Gold binding site 6 out
of 36 in the Archaeal-Type Phosphoenolpyruvate Carboxylase
Mono view
Stereo pair view
|
A full contact list of Gold with other atoms in the Au binding
site number 6 of Archaeal-Type Phosphoenolpyruvate Carboxylase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Au609
b:79.6
occ:1.00
|
SG
|
B:CYS5
|
1.6
|
63.0
|
1.0
|
CB
|
B:CYS5
|
3.2
|
61.6
|
1.0
|
CG
|
B:LYS290
|
3.5
|
69.8
|
1.0
|
N
|
B:CYS5
|
3.6
|
60.6
|
1.0
|
OE1
|
B:GLU43
|
3.6
|
64.1
|
1.0
|
CG2
|
B:ILE293
|
3.9
|
72.4
|
1.0
|
CA
|
B:LYS290
|
3.9
|
70.4
|
1.0
|
CA
|
B:CYS5
|
4.0
|
60.7
|
1.0
|
CB
|
B:LYS290
|
4.3
|
70.2
|
1.0
|
O
|
B:LYS290
|
4.4
|
73.3
|
1.0
|
C
|
B:PRO4
|
4.6
|
60.5
|
1.0
|
CD
|
B:GLU43
|
4.6
|
62.6
|
1.0
|
C
|
B:LYS290
|
4.6
|
72.3
|
1.0
|
CB
|
B:ILE293
|
4.7
|
71.4
|
1.0
|
N
|
B:LYS290
|
4.8
|
69.3
|
1.0
|
CD
|
B:LYS290
|
4.8
|
69.2
|
1.0
|
OE2
|
B:GLU43
|
4.8
|
64.5
|
1.0
|
CE
|
B:LYS290
|
4.9
|
67.5
|
1.0
|
CA
|
B:PRO4
|
4.9
|
60.0
|
1.0
|
O
|
B:ILE3
|
5.0
|
64.3
|
1.0
|
|
Gold binding site 7 out
of 36 in 3odm
Go back to
Gold Binding Sites List in 3odm
Gold binding site 7 out
of 36 in the Archaeal-Type Phosphoenolpyruvate Carboxylase
Mono view
Stereo pair view
|
A full contact list of Gold with other atoms in the Au binding
site number 7 of Archaeal-Type Phosphoenolpyruvate Carboxylase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Au610
b:86.9
occ:0.51
|
AU
|
B:AUC610
|
0.0
|
86.9
|
0.5
|
C2
|
B:AUC610
|
1.8
|
84.0
|
0.6
|
C1
|
B:AUC610
|
1.8
|
84.1
|
0.6
|
N2
|
B:AUC610
|
3.0
|
83.2
|
0.6
|
N1
|
B:AUC610
|
3.0
|
82.4
|
0.6
|
OD2
|
B:ASP48
|
3.1
|
66.1
|
1.0
|
NH1
|
B:ARG82
|
3.1
|
60.1
|
1.0
|
CG
|
B:ASP48
|
3.5
|
61.0
|
1.0
|
NE2
|
B:HIS11
|
3.7
|
60.8
|
1.0
|
CD2
|
B:HIS11
|
3.7
|
59.6
|
1.0
|
NH2
|
B:ARG344
|
3.8
|
78.5
|
1.0
|
NH1
|
B:ARG344
|
3.8
|
74.9
|
1.0
|
CE1
|
B:HIS11
|
3.9
|
59.2
|
1.0
|
CG
|
B:HIS11
|
3.9
|
56.8
|
1.0
|
CZ
|
B:ARG82
|
4.0
|
60.5
|
1.0
|
ND1
|
B:HIS11
|
4.0
|
57.2
|
1.0
|
OD1
|
B:ASP48
|
4.0
|
63.8
|
1.0
|
CZ
|
B:ARG344
|
4.2
|
76.2
|
1.0
|
CB
|
B:ASP48
|
4.2
|
56.2
|
1.0
|
CA
|
B:HIS11
|
4.2
|
54.0
|
1.0
|
N
|
B:HIS11
|
4.3
|
52.4
|
1.0
|
O
|
B:GLN10
|
4.3
|
53.3
|
1.0
|
C
|
B:GLN10
|
4.4
|
52.0
|
1.0
|
NH2
|
B:ARG82
|
4.5
|
62.7
|
1.0
|
CB
|
B:HIS11
|
4.7
|
55.2
|
1.0
|
AU
|
B:AUC640
|
4.8
|
93.8
|
0.3
|
NE
|
B:ARG82
|
4.9
|
59.2
|
1.0
|
|
Gold binding site 8 out
of 36 in 3odm
Go back to
Gold Binding Sites List in 3odm
Gold binding site 8 out
of 36 in the Archaeal-Type Phosphoenolpyruvate Carboxylase
Mono view
Stereo pair view
|
A full contact list of Gold with other atoms in the Au binding
site number 8 of Archaeal-Type Phosphoenolpyruvate Carboxylase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Au622
b:69.8
occ:0.27
|
OE1
|
B:GLU279
|
2.5
|
68.9
|
1.0
|
CD2
|
B:LEU40
|
2.6
|
51.3
|
1.0
|
CD
|
B:GLU279
|
3.1
|
65.5
|
1.0
|
O
|
B:GLY38
|
3.4
|
56.7
|
1.0
|
CD
|
B:LYS30
|
3.5
|
56.5
|
1.0
|
OE2
|
B:GLU279
|
3.7
|
65.5
|
1.0
|
CG
|
B:LEU40
|
3.8
|
50.3
|
1.0
|
NZ
|
B:LYS30
|
3.8
|
63.0
|
1.0
|
CE
|
B:LYS30
|
3.9
|
60.2
|
1.0
|
CG
|
B:GLU279
|
3.9
|
61.6
|
1.0
|
C
|
B:GLY39
|
4.2
|
54.0
|
1.0
|
N
|
B:LEU40
|
4.3
|
52.3
|
1.0
|
CA
|
B:GLY39
|
4.4
|
54.3
|
1.0
|
CB
|
B:GLU279
|
4.5
|
59.3
|
1.0
|
CG
|
B:LYS30
|
4.5
|
53.9
|
1.0
|
C
|
B:GLY38
|
4.5
|
56.9
|
1.0
|
O
|
B:GLY39
|
4.5
|
55.3
|
1.0
|
CA
|
B:LEU40
|
4.7
|
51.7
|
1.0
|
CB
|
B:LEU40
|
4.8
|
51.0
|
1.0
|
CD1
|
B:LEU40
|
4.8
|
49.0
|
1.0
|
N
|
B:GLY39
|
5.0
|
56.1
|
1.0
|
|
Gold binding site 9 out
of 36 in 3odm
Go back to
Gold Binding Sites List in 3odm
Gold binding site 9 out
of 36 in the Archaeal-Type Phosphoenolpyruvate Carboxylase
Mono view
Stereo pair view
|
A full contact list of Gold with other atoms in the Au binding
site number 9 of Archaeal-Type Phosphoenolpyruvate Carboxylase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Au638
b:86.5
occ:0.19
|
ND1
|
B:HIS284
|
3.4
|
65.4
|
1.0
|
CE1
|
B:HIS284
|
3.5
|
67.3
|
1.0
|
CG
|
B:GLU251
|
3.7
|
61.5
|
1.0
|
CB
|
B:GLU251
|
4.0
|
60.6
|
1.0
|
CG
|
B:HIS284
|
4.0
|
63.8
|
1.0
|
NE2
|
B:HIS284
|
4.1
|
67.9
|
1.0
|
O
|
B:GLU251
|
4.2
|
63.3
|
1.0
|
O
|
B:HOH845
|
4.3
|
52.3
|
1.0
|
C
|
B:GLU251
|
4.3
|
62.7
|
1.0
|
CD2
|
B:HIS284
|
4.4
|
66.7
|
1.0
|
N
|
B:GLU252
|
4.6
|
64.2
|
1.0
|
CB
|
B:HIS284
|
4.7
|
60.8
|
1.0
|
CA
|
B:GLU251
|
4.8
|
60.7
|
1.0
|
CA
|
B:GLU252
|
4.8
|
66.7
|
1.0
|
|
Gold binding site 10 out
of 36 in 3odm
Go back to
Gold Binding Sites List in 3odm
Gold binding site 10 out
of 36 in the Archaeal-Type Phosphoenolpyruvate Carboxylase
Mono view
Stereo pair view
|
A full contact list of Gold with other atoms in the Au binding
site number 10 of Archaeal-Type Phosphoenolpyruvate Carboxylase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Au640
b:93.8
occ:0.34
|
NH1
|
B:ARG82
|
2.7
|
60.1
|
1.0
|
NH2
|
B:ARG82
|
3.2
|
62.7
|
1.0
|
CZ
|
B:ARG82
|
3.2
|
60.5
|
1.0
|
CE
|
B:MET197
|
3.3
|
57.2
|
1.0
|
NE2
|
B:HIS11
|
3.4
|
60.8
|
1.0
|
CE1
|
B:HIS11
|
3.4
|
59.2
|
1.0
|
NE
|
B:ARG82
|
4.2
|
59.2
|
1.0
|
CD2
|
B:LEU163
|
4.4
|
63.4
|
1.0
|
SD
|
B:MET46
|
4.4
|
65.3
|
1.0
|
CE
|
B:MET46
|
4.6
|
64.0
|
1.0
|
SD
|
B:MET197
|
4.7
|
56.6
|
1.0
|
ND1
|
B:HIS11
|
4.7
|
57.2
|
1.0
|
CD2
|
B:HIS11
|
4.8
|
59.6
|
1.0
|
AU
|
B:AUC610
|
4.8
|
86.9
|
0.5
|
CD
|
B:ARG82
|
4.9
|
56.4
|
1.0
|
|
Reference:
L.Dharmarajan,
J.L.Kraszewski,
B.Mukhopadhyay,
P.W.Dunten.
Structure of An Archaeal-Type Phosphoenolpyruvate Carboxylase Sensitive to Inhibition By Aspartate. Proteins V. 79 1820 2011.
ISSN: ISSN 0887-3585
PubMed: 21491491
DOI: 10.1002/PROT.23006
Page generated: Wed Jul 10 14:19:14 2024
|