Manganese in PDB 7cx7: Crystal Structure of Arabinose Isomerase From Hybrid AI8
Enzymatic activity of Crystal Structure of Arabinose Isomerase From Hybrid AI8
All present enzymatic activity of Crystal Structure of Arabinose Isomerase From Hybrid AI8:
5.3.1.4;
Protein crystallography data
The structure of Crystal Structure of Arabinose Isomerase From Hybrid AI8, PDB code: 7cx7
was solved by
N.K.Q.Hoang,
I.Dhanasingh,
T.P.Cao,
J.Y.Sung,
S.M.Shin,
D.W.Lee,
S.H.Lee,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
48.59 /
2.49
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
204.591,
81.907,
192.001,
90,
117.9,
90
|
R / Rfree (%)
|
19.2 /
26.8
|
Manganese Binding Sites:
The binding sites of Manganese atom in the Crystal Structure of Arabinose Isomerase From Hybrid AI8
(pdb code 7cx7). This binding sites where shown within
5.0 Angstroms radius around Manganese atom.
In total 9 binding sites of Manganese where determined in the
Crystal Structure of Arabinose Isomerase From Hybrid AI8, PDB code: 7cx7:
Jump to Manganese binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
Manganese binding site 1 out
of 9 in 7cx7
Go back to
Manganese Binding Sites List in 7cx7
Manganese binding site 1 out
of 9 in the Crystal Structure of Arabinose Isomerase From Hybrid AI8
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 1 of Crystal Structure of Arabinose Isomerase From Hybrid AI8 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn503
b:41.0
occ:1.00
|
NE2
|
A:HIS448
|
2.1
|
43.7
|
1.0
|
NE2
|
A:HIS349
|
2.3
|
42.6
|
1.0
|
OE2
|
A:GLU307
|
2.4
|
60.0
|
1.0
|
O
|
A:HOH642
|
2.4
|
40.6
|
1.0
|
OE1
|
A:GLU307
|
2.8
|
59.9
|
1.0
|
CD
|
A:GLU307
|
2.9
|
50.4
|
1.0
|
OE2
|
A:GLU332
|
2.9
|
49.6
|
1.0
|
OE1
|
A:GLU332
|
3.0
|
53.6
|
1.0
|
CE1
|
A:HIS448
|
3.0
|
42.9
|
1.0
|
CD
|
A:GLU332
|
3.1
|
46.5
|
1.0
|
CD2
|
A:HIS349
|
3.1
|
41.0
|
1.0
|
CD2
|
A:HIS448
|
3.2
|
37.9
|
1.0
|
CE1
|
A:HIS349
|
3.3
|
38.0
|
1.0
|
ND1
|
A:HIS448
|
4.2
|
36.1
|
1.0
|
CG
|
A:GLU332
|
4.3
|
44.5
|
1.0
|
CG
|
A:HIS448
|
4.3
|
34.8
|
1.0
|
CG
|
A:HIS349
|
4.3
|
40.6
|
1.0
|
ND1
|
A:HIS349
|
4.3
|
35.4
|
1.0
|
CD2
|
A:HIS447
|
4.3
|
41.2
|
1.0
|
NE2
|
A:HIS447
|
4.4
|
40.7
|
1.0
|
CG
|
A:GLU307
|
4.4
|
45.7
|
1.0
|
CB
|
A:GLU332
|
4.7
|
39.8
|
1.0
|
CZ
|
A:PHE330
|
4.8
|
29.6
|
1.0
|
|
Manganese binding site 2 out
of 9 in 7cx7
Go back to
Manganese Binding Sites List in 7cx7
Manganese binding site 2 out
of 9 in the Crystal Structure of Arabinose Isomerase From Hybrid AI8
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 2 of Crystal Structure of Arabinose Isomerase From Hybrid AI8 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn504
b:61.1
occ:1.00
|
O
|
B:GLY398
|
2.1
|
30.9
|
1.0
|
O
|
A:GLY398
|
2.2
|
27.3
|
1.0
|
O
|
A:HOH649
|
2.3
|
29.6
|
1.0
|
C
|
B:GLY398
|
3.1
|
27.4
|
1.0
|
OD2
|
B:ASP195
|
3.2
|
41.2
|
1.0
|
C
|
A:GLY398
|
3.3
|
25.2
|
1.0
|
OD2
|
A:ASP195
|
3.5
|
39.2
|
1.0
|
CA
|
B:GLY398
|
3.6
|
29.7
|
1.0
|
CB
|
B:ASP195
|
3.8
|
43.0
|
1.0
|
CA
|
A:GLY398
|
3.9
|
22.2
|
1.0
|
CB
|
A:ASP195
|
3.9
|
38.9
|
1.0
|
O
|
B:HOH606
|
3.9
|
30.8
|
1.0
|
CG
|
B:ASP195
|
4.0
|
40.0
|
1.0
|
OD2
|
B:ASP396
|
4.0
|
44.2
|
1.0
|
O
|
B:HOH660
|
4.1
|
39.1
|
1.0
|
OD1
|
B:ASP396
|
4.1
|
34.0
|
1.0
|
CG
|
A:ASP195
|
4.2
|
41.2
|
1.0
|
O
|
A:HOH662
|
4.2
|
27.7
|
1.0
|
O
|
B:HOH652
|
4.3
|
33.0
|
1.0
|
N
|
B:HIS399
|
4.3
|
27.1
|
1.0
|
CG
|
B:ASP396
|
4.5
|
39.2
|
1.0
|
N
|
A:HIS399
|
4.5
|
27.1
|
1.0
|
OD2
|
A:ASP396
|
4.6
|
41.9
|
1.0
|
OD1
|
A:ASP396
|
4.7
|
38.1
|
1.0
|
N
|
B:GLY398
|
4.7
|
29.3
|
1.0
|
CA
|
B:HIS399
|
4.8
|
29.9
|
1.0
|
CA
|
A:HIS399
|
4.9
|
29.1
|
1.0
|
CG
|
A:ASP396
|
5.0
|
35.6
|
1.0
|
N
|
A:GLY398
|
5.0
|
21.1
|
1.0
|
|
Manganese binding site 3 out
of 9 in 7cx7
Go back to
Manganese Binding Sites List in 7cx7
Manganese binding site 3 out
of 9 in the Crystal Structure of Arabinose Isomerase From Hybrid AI8
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 3 of Crystal Structure of Arabinose Isomerase From Hybrid AI8 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mn502
b:45.5
occ:1.00
|
NE2
|
B:HIS349
|
2.1
|
47.9
|
1.0
|
NE2
|
B:HIS448
|
2.2
|
63.4
|
1.0
|
OE1
|
B:GLU332
|
2.4
|
57.8
|
1.0
|
OE1
|
B:GLU307
|
2.4
|
43.4
|
1.0
|
OE2
|
B:GLU307
|
2.7
|
52.6
|
1.0
|
CD
|
B:GLU307
|
2.8
|
42.5
|
1.0
|
O
|
B:HOH647
|
2.9
|
26.2
|
1.0
|
CE1
|
B:HIS349
|
3.0
|
54.5
|
1.0
|
CD
|
B:GLU332
|
3.0
|
50.5
|
1.0
|
CE1
|
B:HIS448
|
3.1
|
59.2
|
1.0
|
OE2
|
B:GLU332
|
3.2
|
60.4
|
1.0
|
CD2
|
B:HIS448
|
3.2
|
56.9
|
1.0
|
CD2
|
B:HIS349
|
3.2
|
53.1
|
1.0
|
ND1
|
B:HIS349
|
4.1
|
51.1
|
1.0
|
NE2
|
B:HIS447
|
4.2
|
44.1
|
1.0
|
CD2
|
B:HIS447
|
4.2
|
45.0
|
1.0
|
CG
|
B:GLU332
|
4.2
|
48.6
|
1.0
|
CG
|
B:GLU307
|
4.3
|
39.8
|
1.0
|
ND1
|
B:HIS448
|
4.3
|
50.2
|
1.0
|
CG
|
B:HIS349
|
4.3
|
51.9
|
1.0
|
CG
|
B:HIS448
|
4.3
|
48.3
|
1.0
|
CZ
|
B:PHE330
|
4.8
|
32.7
|
1.0
|
CB
|
B:GLU332
|
4.9
|
44.2
|
1.0
|
CB
|
B:GLU307
|
4.9
|
34.5
|
1.0
|
|
Manganese binding site 4 out
of 9 in 7cx7
Go back to
Manganese Binding Sites List in 7cx7
Manganese binding site 4 out
of 9 in the Crystal Structure of Arabinose Isomerase From Hybrid AI8
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 4 of Crystal Structure of Arabinose Isomerase From Hybrid AI8 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mn504
b:58.0
occ:1.00
|
O
|
D:GLY398
|
2.1
|
34.6
|
1.0
|
O
|
C:GLY398
|
2.1
|
36.5
|
1.0
|
O
|
C:HOH611
|
2.2
|
27.4
|
1.0
|
O
|
D:HOH620
|
2.3
|
32.3
|
1.0
|
O
|
D:HOH602
|
2.3
|
29.9
|
1.0
|
C
|
D:GLY398
|
3.1
|
32.5
|
1.0
|
C
|
C:GLY398
|
3.3
|
32.6
|
1.0
|
CA
|
D:GLY398
|
3.5
|
31.6
|
1.0
|
OD2
|
C:ASP195
|
3.6
|
38.2
|
1.0
|
CB
|
C:ASP195
|
3.8
|
38.2
|
1.0
|
O
|
C:HOH623
|
4.0
|
40.1
|
1.0
|
CA
|
C:GLY398
|
4.0
|
29.9
|
1.0
|
O
|
C:HOH618
|
4.0
|
25.4
|
1.0
|
O
|
D:HOH603
|
4.1
|
33.3
|
1.0
|
CG
|
C:ASP195
|
4.2
|
39.4
|
1.0
|
OD2
|
D:ASP195
|
4.2
|
44.5
|
1.0
|
CB
|
D:ASP195
|
4.2
|
35.5
|
1.0
|
OD2
|
C:ASP396
|
4.3
|
46.6
|
1.0
|
OD1
|
D:ASP396
|
4.3
|
38.1
|
1.0
|
N
|
D:HIS399
|
4.3
|
32.7
|
1.0
|
OD1
|
C:ASP396
|
4.3
|
45.7
|
1.0
|
N
|
C:HIS399
|
4.3
|
34.2
|
1.0
|
O
|
D:HOH646
|
4.4
|
32.3
|
1.0
|
OD2
|
D:ASP396
|
4.6
|
42.7
|
1.0
|
CA
|
C:HIS399
|
4.7
|
31.6
|
1.0
|
N
|
D:GLY398
|
4.7
|
31.4
|
1.0
|
CG
|
C:ASP396
|
4.7
|
46.5
|
1.0
|
CG
|
D:ASP195
|
4.8
|
40.0
|
1.0
|
CA
|
D:HIS399
|
4.8
|
30.1
|
1.0
|
CG
|
D:ASP396
|
4.8
|
40.5
|
1.0
|
|
Manganese binding site 5 out
of 9 in 7cx7
Go back to
Manganese Binding Sites List in 7cx7
Manganese binding site 5 out
of 9 in the Crystal Structure of Arabinose Isomerase From Hybrid AI8
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 5 of Crystal Structure of Arabinose Isomerase From Hybrid AI8 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mn505
b:45.4
occ:1.00
|
NE2
|
C:HIS448
|
2.1
|
53.3
|
1.0
|
OE1
|
C:GLU307
|
2.2
|
50.0
|
1.0
|
NE2
|
C:HIS349
|
2.3
|
67.3
|
1.0
|
O
|
C:HOH649
|
2.3
|
42.7
|
1.0
|
OE2
|
C:GLU332
|
2.6
|
51.7
|
1.0
|
OE1
|
C:GLU332
|
2.6
|
60.8
|
1.0
|
CD
|
C:GLU332
|
2.9
|
45.5
|
1.0
|
CE1
|
C:HIS448
|
3.0
|
49.8
|
1.0
|
CD2
|
C:HIS349
|
3.1
|
66.6
|
1.0
|
CD2
|
C:HIS448
|
3.1
|
50.6
|
1.0
|
CD
|
C:GLU307
|
3.3
|
58.0
|
1.0
|
CE1
|
C:HIS349
|
3.3
|
62.5
|
1.0
|
OE2
|
C:GLU307
|
3.7
|
63.9
|
1.0
|
ND1
|
C:HIS448
|
4.1
|
44.3
|
1.0
|
CG
|
C:HIS448
|
4.2
|
41.9
|
1.0
|
CG
|
C:GLU332
|
4.2
|
44.5
|
1.0
|
NE2
|
C:HIS447
|
4.2
|
50.8
|
1.0
|
CG
|
C:HIS349
|
4.3
|
64.2
|
1.0
|
ND1
|
C:HIS349
|
4.3
|
59.8
|
1.0
|
O
|
F:HOH645
|
4.4
|
36.5
|
1.0
|
CD2
|
C:HIS447
|
4.4
|
49.1
|
1.0
|
CG
|
C:GLU307
|
4.5
|
62.5
|
1.0
|
CB
|
C:GLU332
|
4.8
|
39.9
|
1.0
|
CZ
|
C:PHE330
|
4.9
|
30.2
|
1.0
|
|
Manganese binding site 6 out
of 9 in 7cx7
Go back to
Manganese Binding Sites List in 7cx7
Manganese binding site 6 out
of 9 in the Crystal Structure of Arabinose Isomerase From Hybrid AI8
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 6 of Crystal Structure of Arabinose Isomerase From Hybrid AI8 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mn501
b:43.1
occ:1.00
|
NE2
|
D:HIS349
|
2.2
|
47.3
|
1.0
|
NE2
|
D:HIS448
|
2.3
|
50.6
|
1.0
|
OE2
|
D:GLU307
|
2.6
|
49.3
|
1.0
|
OE1
|
D:GLU332
|
2.6
|
52.3
|
1.0
|
OE2
|
D:GLU332
|
2.8
|
52.6
|
1.0
|
CD
|
D:GLU332
|
2.9
|
48.9
|
1.0
|
CD
|
D:GLU307
|
3.1
|
51.7
|
1.0
|
OE1
|
D:GLU307
|
3.1
|
52.3
|
1.0
|
CD2
|
D:HIS349
|
3.1
|
51.4
|
1.0
|
CD2
|
D:HIS448
|
3.2
|
46.2
|
1.0
|
CE1
|
D:HIS349
|
3.3
|
45.4
|
1.0
|
CE1
|
D:HIS448
|
3.3
|
49.4
|
1.0
|
CE1
|
D:HIS447
|
3.8
|
49.4
|
1.0
|
ND1
|
D:HIS447
|
4.0
|
46.1
|
1.0
|
CG
|
D:GLU332
|
4.1
|
48.7
|
1.0
|
CG
|
D:HIS349
|
4.3
|
47.0
|
1.0
|
ND1
|
D:HIS349
|
4.3
|
43.3
|
1.0
|
CG
|
D:GLU307
|
4.4
|
48.4
|
1.0
|
ND1
|
D:HIS448
|
4.4
|
49.0
|
1.0
|
CG
|
D:HIS448
|
4.4
|
41.9
|
1.0
|
CB
|
D:GLU332
|
4.7
|
40.5
|
1.0
|
CZ
|
D:PHE330
|
4.9
|
34.6
|
1.0
|
|
Manganese binding site 7 out
of 9 in 7cx7
Go back to
Manganese Binding Sites List in 7cx7
Manganese binding site 7 out
of 9 in the Crystal Structure of Arabinose Isomerase From Hybrid AI8
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 7 of Crystal Structure of Arabinose Isomerase From Hybrid AI8 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Mn503
b:70.1
occ:1.00
|
O
|
E:GLY398
|
1.9
|
39.0
|
1.0
|
O
|
E:HOH610
|
2.2
|
28.2
|
1.0
|
C
|
E:GLY398
|
3.0
|
31.8
|
1.0
|
O
|
E:HOH626
|
3.4
|
38.3
|
1.0
|
OD2
|
E:ASP195
|
3.7
|
47.2
|
1.0
|
CA
|
E:GLY398
|
3.7
|
32.4
|
1.0
|
CB
|
E:ASP195
|
3.9
|
43.0
|
1.0
|
OD2
|
E:ASP396
|
4.0
|
43.9
|
1.0
|
N
|
E:HIS399
|
4.1
|
32.9
|
1.0
|
OD1
|
E:ASP396
|
4.3
|
42.0
|
1.0
|
CG
|
E:ASP195
|
4.3
|
43.9
|
1.0
|
CA
|
E:HIS399
|
4.5
|
34.0
|
1.0
|
CG
|
E:ASP396
|
4.6
|
43.5
|
1.0
|
N
|
E:GLY398
|
4.8
|
38.5
|
1.0
|
|
Manganese binding site 8 out
of 9 in 7cx7
Go back to
Manganese Binding Sites List in 7cx7
Manganese binding site 8 out
of 9 in the Crystal Structure of Arabinose Isomerase From Hybrid AI8
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 8 of Crystal Structure of Arabinose Isomerase From Hybrid AI8 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Mn504
b:58.0
occ:1.00
|
OE1
|
E:GLU332
|
2.3
|
51.0
|
1.0
|
NE2
|
E:HIS448
|
2.4
|
49.9
|
1.0
|
NE2
|
E:HIS349
|
2.4
|
53.1
|
1.0
|
OE1
|
E:GLU307
|
2.4
|
57.1
|
1.0
|
O
|
E:HOH644
|
2.8
|
27.5
|
1.0
|
CD
|
E:GLU307
|
3.0
|
57.9
|
1.0
|
OE2
|
E:GLU307
|
3.1
|
61.7
|
1.0
|
CD
|
E:GLU332
|
3.1
|
55.3
|
1.0
|
CD2
|
E:HIS448
|
3.3
|
42.0
|
1.0
|
CE1
|
E:HIS349
|
3.3
|
59.6
|
1.0
|
OE2
|
E:GLU332
|
3.3
|
66.9
|
1.0
|
CE1
|
E:HIS448
|
3.4
|
50.3
|
1.0
|
CD2
|
E:HIS349
|
3.4
|
56.7
|
1.0
|
NE2
|
E:HIS447
|
4.0
|
46.1
|
1.0
|
CD2
|
E:HIS447
|
4.0
|
47.5
|
1.0
|
CG
|
E:GLU307
|
4.4
|
54.5
|
1.0
|
ND1
|
E:HIS349
|
4.4
|
59.7
|
1.0
|
CG
|
E:HIS448
|
4.4
|
45.4
|
1.0
|
ND1
|
E:HIS448
|
4.5
|
50.2
|
1.0
|
CG
|
E:HIS349
|
4.5
|
60.1
|
1.0
|
CG
|
E:GLU332
|
4.5
|
54.3
|
1.0
|
CB
|
E:GLU332
|
5.0
|
51.9
|
1.0
|
|
Manganese binding site 9 out
of 9 in 7cx7
Go back to
Manganese Binding Sites List in 7cx7
Manganese binding site 9 out
of 9 in the Crystal Structure of Arabinose Isomerase From Hybrid AI8
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 9 of Crystal Structure of Arabinose Isomerase From Hybrid AI8 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Mn503
b:53.2
occ:1.00
|
OE1
|
F:GLU332
|
1.9
|
51.6
|
1.0
|
OE1
|
F:GLU307
|
2.2
|
52.9
|
1.0
|
NE2
|
F:HIS448
|
2.3
|
45.7
|
1.0
|
NE2
|
F:HIS349
|
2.3
|
47.1
|
1.0
|
CD
|
F:GLU332
|
2.8
|
53.7
|
1.0
|
OE2
|
F:GLU332
|
3.1
|
64.4
|
1.0
|
CD
|
F:GLU307
|
3.1
|
56.7
|
1.0
|
CD2
|
F:HIS448
|
3.2
|
38.6
|
1.0
|
CE1
|
F:HIS349
|
3.2
|
49.0
|
1.0
|
CD2
|
F:HIS349
|
3.3
|
46.7
|
1.0
|
CE1
|
F:HIS448
|
3.3
|
44.7
|
1.0
|
OE2
|
F:GLU307
|
3.4
|
71.0
|
1.0
|
CD2
|
F:HIS447
|
4.0
|
49.9
|
1.0
|
NE2
|
F:HIS447
|
4.2
|
49.0
|
1.0
|
CG
|
F:GLU332
|
4.2
|
52.0
|
1.0
|
CG
|
F:HIS448
|
4.3
|
43.0
|
1.0
|
ND1
|
F:HIS349
|
4.3
|
49.9
|
1.0
|
ND1
|
F:HIS448
|
4.4
|
44.3
|
1.0
|
CG
|
F:HIS349
|
4.4
|
50.0
|
1.0
|
CG
|
F:GLU307
|
4.5
|
56.7
|
1.0
|
CZ
|
F:PHE330
|
4.7
|
55.7
|
1.0
|
CB
|
F:GLU332
|
4.8
|
51.0
|
1.0
|
|
Reference:
N.K.Q.Hoang,
I.Dhanasingh,
T.P.Cao,
J.Y.Sung,
S.M.Shin,
D.W.Lee,
S.H.Lee.
Crystal Structure of Arabinose Isomerase From Hyper Thermophilic Bacterium Thermotoga Maritima (Tmai) Wt To Be Published.
Page generated: Sun Oct 6 08:19:15 2024
|