Manganese in PDB 6ah8: Marine Bacterial Prolidase with Promiscuous Organophosphorus Hydrolase Activity
Enzymatic activity of Marine Bacterial Prolidase with Promiscuous Organophosphorus Hydrolase Activity
All present enzymatic activity of Marine Bacterial Prolidase with Promiscuous Organophosphorus Hydrolase Activity:
3.4.13.9;
Protein crystallography data
The structure of Marine Bacterial Prolidase with Promiscuous Organophosphorus Hydrolase Activity, PDB code: 6ah8
was solved by
Y.Jian,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
44.53 /
2.61
|
Space group
|
H 3 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
178.854,
178.854,
371.586,
90.00,
90.00,
120.00
|
R / Rfree (%)
|
22.6 /
27.9
|
Manganese Binding Sites:
The binding sites of Manganese atom in the Marine Bacterial Prolidase with Promiscuous Organophosphorus Hydrolase Activity
(pdb code 6ah8). This binding sites where shown within
5.0 Angstroms radius around Manganese atom.
In total 8 binding sites of Manganese where determined in the
Marine Bacterial Prolidase with Promiscuous Organophosphorus Hydrolase Activity, PDB code: 6ah8:
Jump to Manganese binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Manganese binding site 1 out
of 8 in 6ah8
Go back to
Manganese Binding Sites List in 6ah8
Manganese binding site 1 out
of 8 in the Marine Bacterial Prolidase with Promiscuous Organophosphorus Hydrolase Activity
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 1 of Marine Bacterial Prolidase with Promiscuous Organophosphorus Hydrolase Activity within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn501
b:64.5
occ:1.00
|
OE2
|
A:GLU381
|
1.8
|
73.0
|
1.0
|
NE2
|
A:HIS336
|
2.1
|
56.2
|
1.0
|
OE2
|
A:GLU420
|
2.2
|
51.8
|
1.0
|
OD2
|
A:ASP255
|
2.4
|
49.7
|
1.0
|
CD
|
A:GLU381
|
3.0
|
69.9
|
1.0
|
CE1
|
A:HIS336
|
3.0
|
52.5
|
1.0
|
CD2
|
A:HIS336
|
3.1
|
58.9
|
1.0
|
MN
|
A:MN502
|
3.2
|
80.9
|
1.0
|
CD
|
A:GLU420
|
3.2
|
55.1
|
1.0
|
CG
|
A:ASP255
|
3.2
|
48.7
|
1.0
|
OE1
|
A:GLU420
|
3.5
|
54.9
|
1.0
|
OD1
|
A:ASP255
|
3.6
|
50.9
|
1.0
|
OE1
|
A:GLU381
|
3.7
|
77.0
|
1.0
|
CG2
|
A:THR379
|
3.8
|
61.9
|
1.0
|
OG1
|
A:THR379
|
4.0
|
58.4
|
1.0
|
CG
|
A:GLU381
|
4.0
|
69.6
|
1.0
|
CB
|
A:THR379
|
4.1
|
58.8
|
1.0
|
ND1
|
A:HIS336
|
4.1
|
53.0
|
1.0
|
CG
|
A:HIS336
|
4.2
|
54.9
|
1.0
|
CB
|
A:ASP255
|
4.4
|
51.1
|
1.0
|
CG
|
A:GLU420
|
4.5
|
58.0
|
1.0
|
NE2
|
A:HIS343
|
4.7
|
53.1
|
1.0
|
CD2
|
A:HIS343
|
4.8
|
53.8
|
1.0
|
CG1
|
A:VAL342
|
4.9
|
44.8
|
1.0
|
|
Manganese binding site 2 out
of 8 in 6ah8
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Manganese Binding Sites List in 6ah8
Manganese binding site 2 out
of 8 in the Marine Bacterial Prolidase with Promiscuous Organophosphorus Hydrolase Activity
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 2 of Marine Bacterial Prolidase with Promiscuous Organophosphorus Hydrolase Activity within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn502
b:80.9
occ:1.00
|
OD1
|
A:ASP255
|
2.1
|
50.9
|
1.0
|
OE1
|
A:GLU420
|
2.2
|
54.9
|
1.0
|
OD1
|
A:ASP244
|
2.4
|
52.9
|
1.0
|
OD2
|
A:ASP244
|
2.4
|
50.6
|
1.0
|
CG
|
A:ASP244
|
2.8
|
53.1
|
1.0
|
CD
|
A:GLU420
|
3.0
|
55.1
|
1.0
|
CG
|
A:ASP255
|
3.0
|
48.7
|
1.0
|
MN
|
A:MN501
|
3.2
|
64.5
|
1.0
|
OE2
|
A:GLU420
|
3.2
|
51.8
|
1.0
|
OD2
|
A:ASP255
|
3.3
|
49.7
|
1.0
|
OG1
|
A:THR257
|
3.7
|
52.2
|
1.0
|
OE2
|
A:GLU381
|
3.8
|
73.0
|
1.0
|
OH
|
A:TYR212
|
4.2
|
46.2
|
1.0
|
CB
|
A:ASP244
|
4.3
|
53.4
|
1.0
|
CG
|
A:GLU420
|
4.4
|
58.0
|
1.0
|
CB
|
A:ASP255
|
4.4
|
51.1
|
1.0
|
CD
|
A:GLU381
|
4.4
|
69.9
|
1.0
|
C
|
A:ASP255
|
4.5
|
55.1
|
1.0
|
O
|
A:ASP255
|
4.5
|
53.3
|
1.0
|
CZ
|
A:TYR212
|
4.6
|
45.1
|
1.0
|
CE2
|
A:TYR212
|
4.7
|
44.1
|
1.0
|
OE1
|
A:GLU381
|
4.8
|
77.0
|
1.0
|
CA
|
A:ASP255
|
4.8
|
53.1
|
1.0
|
N
|
A:ILE256
|
4.8
|
54.9
|
1.0
|
NH2
|
A:ARG418
|
4.8
|
46.2
|
1.0
|
NE
|
A:ARG418
|
4.9
|
50.8
|
1.0
|
CB
|
A:GLU420
|
4.9
|
58.0
|
1.0
|
|
Manganese binding site 3 out
of 8 in 6ah8
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Manganese Binding Sites List in 6ah8
Manganese binding site 3 out
of 8 in the Marine Bacterial Prolidase with Promiscuous Organophosphorus Hydrolase Activity
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 3 of Marine Bacterial Prolidase with Promiscuous Organophosphorus Hydrolase Activity within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mn501
b:85.7
occ:1.00
|
OD1
|
B:ASP255
|
2.1
|
53.7
|
1.0
|
OD2
|
B:ASP244
|
2.3
|
55.8
|
1.0
|
OD1
|
B:ASP244
|
2.3
|
54.5
|
1.0
|
CG
|
B:ASP244
|
2.6
|
54.6
|
1.0
|
OE1
|
B:GLU420
|
2.6
|
59.2
|
1.0
|
CG
|
B:ASP255
|
3.0
|
55.2
|
1.0
|
MN
|
B:MN502
|
3.1
|
80.4
|
1.0
|
OD2
|
B:ASP255
|
3.2
|
56.3
|
1.0
|
CD
|
B:GLU420
|
3.4
|
59.6
|
1.0
|
OE2
|
B:GLU420
|
3.5
|
61.0
|
1.0
|
OG1
|
B:THR257
|
3.7
|
59.2
|
1.0
|
OE1
|
B:GLU381
|
4.0
|
82.3
|
1.0
|
OH
|
B:TYR212
|
4.0
|
49.7
|
1.0
|
CB
|
B:ASP244
|
4.1
|
56.9
|
1.0
|
CZ
|
B:TYR212
|
4.2
|
51.9
|
1.0
|
CE2
|
B:TYR212
|
4.3
|
51.3
|
1.0
|
CB
|
B:ASP255
|
4.4
|
53.1
|
1.0
|
CD
|
B:GLU381
|
4.7
|
80.2
|
1.0
|
C
|
B:ASP255
|
4.7
|
51.9
|
1.0
|
O
|
B:ASP255
|
4.9
|
52.8
|
1.0
|
CG
|
B:GLU420
|
4.9
|
58.2
|
1.0
|
CA
|
B:ASP255
|
4.9
|
51.2
|
1.0
|
NE
|
B:ARG418
|
4.9
|
49.1
|
1.0
|
CA
|
B:ASP244
|
5.0
|
55.6
|
1.0
|
CE1
|
B:TYR212
|
5.0
|
52.6
|
1.0
|
|
Manganese binding site 4 out
of 8 in 6ah8
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Manganese Binding Sites List in 6ah8
Manganese binding site 4 out
of 8 in the Marine Bacterial Prolidase with Promiscuous Organophosphorus Hydrolase Activity
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 4 of Marine Bacterial Prolidase with Promiscuous Organophosphorus Hydrolase Activity within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mn502
b:80.4
occ:1.00
|
OE1
|
B:GLU381
|
1.8
|
82.3
|
1.0
|
OD2
|
B:ASP255
|
2.3
|
56.3
|
1.0
|
NE2
|
B:HIS336
|
2.3
|
63.1
|
1.0
|
OE2
|
B:GLU420
|
2.4
|
61.0
|
1.0
|
CD
|
B:GLU381
|
3.0
|
80.2
|
1.0
|
MN
|
B:MN501
|
3.1
|
85.7
|
1.0
|
CG
|
B:ASP255
|
3.1
|
55.2
|
1.0
|
CD
|
B:GLU420
|
3.2
|
59.6
|
1.0
|
CD2
|
B:HIS336
|
3.3
|
64.9
|
1.0
|
CE1
|
B:HIS336
|
3.3
|
62.2
|
1.0
|
OE1
|
B:GLU420
|
3.4
|
59.2
|
1.0
|
OD1
|
B:ASP255
|
3.5
|
53.7
|
1.0
|
OE2
|
B:GLU381
|
3.9
|
93.9
|
1.0
|
CG
|
B:GLU381
|
3.9
|
74.6
|
1.0
|
CG2
|
B:THR379
|
4.0
|
59.2
|
1.0
|
OG1
|
B:THR379
|
4.2
|
58.0
|
1.0
|
CB
|
B:THR379
|
4.2
|
61.4
|
1.0
|
CB
|
B:ASP255
|
4.4
|
53.1
|
1.0
|
ND1
|
B:HIS336
|
4.4
|
60.5
|
1.0
|
CG
|
B:HIS336
|
4.4
|
62.1
|
1.0
|
CG
|
B:GLU420
|
4.5
|
58.2
|
1.0
|
NE2
|
B:HIS343
|
4.7
|
61.5
|
1.0
|
CD2
|
B:HIS343
|
4.9
|
59.2
|
1.0
|
|
Manganese binding site 5 out
of 8 in 6ah8
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Manganese Binding Sites List in 6ah8
Manganese binding site 5 out
of 8 in the Marine Bacterial Prolidase with Promiscuous Organophosphorus Hydrolase Activity
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 5 of Marine Bacterial Prolidase with Promiscuous Organophosphorus Hydrolase Activity within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mn501
b:70.8
occ:1.00
|
OE2
|
C:GLU420
|
2.0
|
56.2
|
1.0
|
OD2
|
C:ASP255
|
2.1
|
64.5
|
1.0
|
NE2
|
C:HIS336
|
2.1
|
70.7
|
1.0
|
OE2
|
C:GLU381
|
2.2
|
88.9
|
1.0
|
CD
|
C:GLU420
|
3.0
|
57.0
|
1.0
|
CE1
|
C:HIS336
|
3.0
|
67.9
|
1.0
|
CG
|
C:ASP255
|
3.1
|
64.7
|
1.0
|
MN
|
C:MN502
|
3.1
|
92.7
|
1.0
|
CD2
|
C:HIS336
|
3.1
|
68.4
|
1.0
|
CD
|
C:GLU381
|
3.2
|
81.6
|
1.0
|
OE1
|
C:GLU420
|
3.3
|
58.0
|
1.0
|
OD1
|
C:ASP255
|
3.6
|
68.8
|
1.0
|
OE1
|
C:GLU381
|
4.0
|
85.1
|
1.0
|
CG2
|
C:THR379
|
4.0
|
65.3
|
1.0
|
OG1
|
C:THR379
|
4.0
|
59.8
|
1.0
|
CG
|
C:GLU381
|
4.1
|
78.0
|
1.0
|
ND1
|
C:HIS336
|
4.2
|
69.7
|
1.0
|
CB
|
C:THR379
|
4.2
|
62.9
|
1.0
|
CG
|
C:HIS336
|
4.2
|
68.2
|
1.0
|
CB
|
C:ASP255
|
4.4
|
61.4
|
1.0
|
CG
|
C:GLU420
|
4.4
|
59.2
|
1.0
|
NE2
|
C:HIS343
|
4.7
|
68.2
|
1.0
|
CD2
|
C:HIS343
|
4.8
|
68.4
|
1.0
|
CG1
|
C:VAL342
|
4.9
|
48.3
|
1.0
|
|
Manganese binding site 6 out
of 8 in 6ah8
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Manganese Binding Sites List in 6ah8
Manganese binding site 6 out
of 8 in the Marine Bacterial Prolidase with Promiscuous Organophosphorus Hydrolase Activity
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 6 of Marine Bacterial Prolidase with Promiscuous Organophosphorus Hydrolase Activity within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mn502
b:92.7
occ:1.00
|
OE1
|
C:GLU420
|
2.0
|
58.0
|
1.0
|
OD1
|
C:ASP255
|
2.1
|
68.8
|
1.0
|
OD2
|
C:ASP244
|
2.3
|
64.5
|
1.0
|
OD1
|
C:ASP244
|
2.5
|
68.2
|
1.0
|
CG
|
C:ASP244
|
2.7
|
64.7
|
1.0
|
CG
|
C:ASP255
|
2.9
|
64.7
|
1.0
|
CD
|
C:GLU420
|
2.9
|
57.0
|
1.0
|
OD2
|
C:ASP255
|
3.1
|
64.5
|
1.0
|
MN
|
C:MN501
|
3.1
|
70.8
|
1.0
|
OE2
|
C:GLU420
|
3.3
|
56.2
|
1.0
|
OG1
|
C:THR257
|
3.7
|
48.8
|
1.0
|
OH
|
C:TYR212
|
3.9
|
59.1
|
1.0
|
CB
|
C:ASP244
|
4.2
|
62.0
|
1.0
|
CZ
|
C:TYR212
|
4.3
|
56.4
|
1.0
|
OE2
|
C:GLU381
|
4.3
|
88.9
|
1.0
|
CG
|
C:GLU420
|
4.3
|
59.2
|
1.0
|
CB
|
C:ASP255
|
4.3
|
61.4
|
1.0
|
O
|
C:ASP255
|
4.5
|
52.7
|
1.0
|
CD
|
C:GLU381
|
4.5
|
81.6
|
1.0
|
C
|
C:ASP255
|
4.6
|
55.2
|
1.0
|
OE1
|
C:GLU381
|
4.6
|
85.1
|
1.0
|
CE2
|
C:TYR212
|
4.6
|
54.3
|
1.0
|
CA
|
C:ASP255
|
4.8
|
56.5
|
1.0
|
CB
|
C:GLU420
|
4.8
|
58.9
|
1.0
|
NE
|
C:ARG418
|
4.9
|
62.1
|
1.0
|
O
|
C:ILE256
|
4.9
|
61.5
|
1.0
|
|
Manganese binding site 7 out
of 8 in 6ah8
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Manganese Binding Sites List in 6ah8
Manganese binding site 7 out
of 8 in the Marine Bacterial Prolidase with Promiscuous Organophosphorus Hydrolase Activity
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 7 of Marine Bacterial Prolidase with Promiscuous Organophosphorus Hydrolase Activity within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mn501
b:99.9
occ:1.00
|
OD1
|
D:ASP255
|
2.2
|
66.1
|
1.0
|
OD2
|
D:ASP244
|
2.5
|
79.5
|
1.0
|
OD1
|
D:ASP244
|
2.5
|
73.5
|
1.0
|
OE1
|
D:GLU420
|
2.6
|
77.5
|
1.0
|
CG
|
D:ASP244
|
2.8
|
73.2
|
1.0
|
CG
|
D:ASP255
|
3.0
|
63.0
|
1.0
|
MN
|
D:MN502
|
3.1
|
80.9
|
1.0
|
OD2
|
D:ASP255
|
3.3
|
58.7
|
1.0
|
OE2
|
D:GLU381
|
3.3
|
0.0
|
1.0
|
CD
|
D:GLU420
|
3.4
|
81.2
|
1.0
|
OE2
|
D:GLU420
|
3.4
|
85.5
|
1.0
|
OG1
|
D:THR257
|
3.9
|
53.5
|
1.0
|
OH
|
D:TYR212
|
4.1
|
66.0
|
1.0
|
CE2
|
D:TYR212
|
4.3
|
62.9
|
1.0
|
CZ
|
D:TYR212
|
4.3
|
63.3
|
1.0
|
CB
|
D:ASP244
|
4.3
|
67.9
|
1.0
|
CB
|
D:ASP255
|
4.5
|
59.7
|
1.0
|
O
|
D:ASP255
|
4.5
|
70.0
|
1.0
|
CD
|
D:GLU381
|
4.6
|
0.8
|
1.0
|
C
|
D:ASP255
|
4.6
|
67.0
|
1.0
|
CA
|
D:ASP255
|
4.8
|
61.1
|
1.0
|
CG
|
D:GLU420
|
4.9
|
77.4
|
1.0
|
|
Manganese binding site 8 out
of 8 in 6ah8
Go back to
Manganese Binding Sites List in 6ah8
Manganese binding site 8 out
of 8 in the Marine Bacterial Prolidase with Promiscuous Organophosphorus Hydrolase Activity
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 8 of Marine Bacterial Prolidase with Promiscuous Organophosphorus Hydrolase Activity within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mn502
b:80.9
occ:1.00
|
OE2
|
D:GLU381
|
2.0
|
0.0
|
1.0
|
NE2
|
D:HIS336
|
2.3
|
64.5
|
1.0
|
OE2
|
D:GLU420
|
2.3
|
85.5
|
1.0
|
OD2
|
D:ASP255
|
2.5
|
58.7
|
1.0
|
CD
|
D:GLU381
|
2.7
|
0.8
|
1.0
|
MN
|
D:MN501
|
3.1
|
99.9
|
1.0
|
CD2
|
D:HIS336
|
3.2
|
67.9
|
1.0
|
OE1
|
D:GLU381
|
3.3
|
98.1
|
1.0
|
CE1
|
D:HIS336
|
3.3
|
67.9
|
1.0
|
CD
|
D:GLU420
|
3.3
|
81.2
|
1.0
|
CG
|
D:ASP255
|
3.4
|
63.0
|
1.0
|
OE1
|
D:GLU420
|
3.7
|
77.5
|
1.0
|
OD1
|
D:ASP255
|
3.7
|
66.1
|
1.0
|
CG
|
D:GLU381
|
3.7
|
0.0
|
1.0
|
OG1
|
D:THR379
|
4.3
|
75.8
|
1.0
|
CG
|
D:HIS336
|
4.4
|
70.1
|
1.0
|
CB
|
D:THR379
|
4.4
|
80.3
|
1.0
|
ND1
|
D:HIS336
|
4.4
|
70.3
|
1.0
|
NE2
|
D:HIS343
|
4.5
|
77.9
|
1.0
|
CG2
|
D:THR379
|
4.5
|
79.1
|
1.0
|
CG
|
D:GLU420
|
4.6
|
77.4
|
1.0
|
CD2
|
D:HIS343
|
4.7
|
76.3
|
1.0
|
CB
|
D:ASP255
|
4.8
|
59.7
|
1.0
|
O
|
D:ASP255
|
5.0
|
70.0
|
1.0
|
|
Reference:
Y.Jian,
Y.Jian.
N/A N/A.
Page generated: Sun Oct 6 03:50:28 2024
|