Cobalt in PDB 6wh5: Mycobacterium Tuberculosis Pduo-Type Atp:Cobalamin Adenosyltransferase Bound to Cob(II)Alamin and Pppi
Enzymatic activity of Mycobacterium Tuberculosis Pduo-Type Atp:Cobalamin Adenosyltransferase Bound to Cob(II)Alamin and Pppi
All present enzymatic activity of Mycobacterium Tuberculosis Pduo-Type Atp:Cobalamin Adenosyltransferase Bound to Cob(II)Alamin and Pppi:
2.5.1.17;
Protein crystallography data
The structure of Mycobacterium Tuberculosis Pduo-Type Atp:Cobalamin Adenosyltransferase Bound to Cob(II)Alamin and Pppi, PDB code: 6wh5
was solved by
R.N.Mascarenhas,
M.Ruetz,
M.Koutmos,
R.Banerjee,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
39.81 /
1.87
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
108.428,
62.678,
103.071,
90,
119.04,
90
|
R / Rfree (%)
|
17.6 /
21.7
|
Other elements in 6wh5:
The structure of Mycobacterium Tuberculosis Pduo-Type Atp:Cobalamin Adenosyltransferase Bound to Cob(II)Alamin and Pppi also contains other interesting chemical elements:
Cobalt Binding Sites:
The binding sites of Cobalt atom in the Mycobacterium Tuberculosis Pduo-Type Atp:Cobalamin Adenosyltransferase Bound to Cob(II)Alamin and Pppi
(pdb code 6wh5). This binding sites where shown within
5.0 Angstroms radius around Cobalt atom.
In total 3 binding sites of Cobalt where determined in the
Mycobacterium Tuberculosis Pduo-Type Atp:Cobalamin Adenosyltransferase Bound to Cob(II)Alamin and Pppi, PDB code: 6wh5:
Jump to Cobalt binding site number:
1;
2;
3;
Cobalt binding site 1 out
of 3 in 6wh5
Go back to
Cobalt Binding Sites List in 6wh5
Cobalt binding site 1 out
of 3 in the Mycobacterium Tuberculosis Pduo-Type Atp:Cobalamin Adenosyltransferase Bound to Cob(II)Alamin and Pppi
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 1 of Mycobacterium Tuberculosis Pduo-Type Atp:Cobalamin Adenosyltransferase Bound to Cob(II)Alamin and Pppi within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Co204
b:23.0
occ:1.00
|
CO
|
A:B12204
|
0.0
|
23.0
|
1.0
|
N23
|
A:B12204
|
1.8
|
22.6
|
1.0
|
N21
|
A:B12204
|
1.9
|
26.5
|
1.0
|
N24
|
A:B12204
|
1.9
|
28.7
|
1.0
|
N22
|
A:B12204
|
1.9
|
21.9
|
1.0
|
C11
|
A:B12204
|
2.8
|
26.1
|
1.0
|
C9
|
A:B12204
|
2.8
|
21.6
|
1.0
|
C19
|
A:B12204
|
2.9
|
32.3
|
1.0
|
C4
|
A:B12204
|
2.9
|
24.3
|
1.0
|
C1
|
A:B12204
|
2.9
|
27.4
|
1.0
|
HE1
|
B:PHE117
|
2.9
|
32.0
|
1.0
|
C16
|
A:B12204
|
2.9
|
29.5
|
1.0
|
C14
|
A:B12204
|
2.9
|
25.2
|
1.0
|
C6
|
A:B12204
|
3.0
|
22.9
|
1.0
|
HZ
|
B:PHE117
|
3.0
|
32.7
|
1.0
|
C10
|
A:B12204
|
3.2
|
21.9
|
1.0
|
H91
|
A:B12204
|
3.2
|
38.8
|
1.0
|
O
|
A:HOH303
|
3.2
|
36.1
|
1.0
|
H203
|
A:B12204
|
3.3
|
35.7
|
1.0
|
C5
|
A:B12204
|
3.4
|
23.7
|
1.0
|
C15
|
A:B12204
|
3.4
|
27.1
|
1.0
|
CE1
|
B:PHE117
|
3.5
|
26.7
|
1.0
|
CZ
|
B:PHE117
|
3.6
|
27.2
|
1.0
|
C20
|
A:B12204
|
3.6
|
29.8
|
1.0
|
H262
|
A:B12204
|
3.8
|
30.9
|
1.0
|
C18
|
A:B12204
|
4.1
|
36.8
|
1.0
|
H10
|
A:B12204
|
4.1
|
26.3
|
1.0
|
C2
|
A:B12204
|
4.1
|
24.7
|
1.0
|
C12
|
A:B12204
|
4.2
|
26.9
|
1.0
|
C17
|
A:B12204
|
4.2
|
33.8
|
1.0
|
H202
|
A:B12204
|
4.2
|
35.7
|
1.0
|
C3
|
A:B12204
|
4.2
|
23.6
|
1.0
|
H562
|
A:B12204
|
4.2
|
47.4
|
1.0
|
C13
|
A:B12204
|
4.2
|
25.2
|
1.0
|
C8
|
A:B12204
|
4.2
|
21.6
|
1.0
|
O2A
|
A:3PO203
|
4.3
|
23.5
|
1.0
|
C7
|
A:B12204
|
4.3
|
22.4
|
1.0
|
H201
|
A:B12204
|
4.4
|
35.7
|
1.0
|
H18
|
A:B12204
|
4.4
|
44.2
|
1.0
|
H372
|
A:B12204
|
4.4
|
26.1
|
1.0
|
C26
|
A:B12204
|
4.4
|
25.7
|
1.0
|
H412
|
A:B12204
|
4.5
|
24.8
|
1.0
|
HD21
|
A:LEU5
|
4.6
|
38.1
|
1.0
|
H492
|
A:B12204
|
4.6
|
34.3
|
1.0
|
H13
|
A:B12204
|
4.6
|
30.2
|
1.0
|
H261
|
A:B12204
|
4.7
|
30.9
|
1.0
|
H3
|
A:B12204
|
4.7
|
28.4
|
1.0
|
H541
|
A:B12204
|
4.7
|
36.7
|
1.0
|
O1A
|
A:3PO203
|
4.7
|
22.0
|
1.0
|
H471
|
A:B12204
|
4.8
|
34.6
|
1.0
|
CD1
|
B:PHE117
|
4.8
|
25.6
|
1.0
|
O
|
A:HOH357
|
4.8
|
45.4
|
1.0
|
C37
|
A:B12204
|
4.8
|
21.8
|
1.0
|
H422
|
A:B12204
|
4.9
|
27.8
|
1.0
|
C35
|
A:B12204
|
4.9
|
26.1
|
1.0
|
C41
|
A:B12204
|
4.9
|
20.7
|
1.0
|
H463
|
A:B12204
|
4.9
|
35.8
|
1.0
|
CE2
|
B:PHE117
|
4.9
|
27.5
|
1.0
|
C53
|
A:B12204
|
4.9
|
24.8
|
1.0
|
H8
|
A:B12204
|
4.9
|
26.0
|
1.0
|
C56
|
A:B12204
|
5.0
|
39.5
|
1.0
|
|
Cobalt binding site 2 out
of 3 in 6wh5
Go back to
Cobalt Binding Sites List in 6wh5
Cobalt binding site 2 out
of 3 in the Mycobacterium Tuberculosis Pduo-Type Atp:Cobalamin Adenosyltransferase Bound to Cob(II)Alamin and Pppi
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 2 of Mycobacterium Tuberculosis Pduo-Type Atp:Cobalamin Adenosyltransferase Bound to Cob(II)Alamin and Pppi within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Co204
b:22.7
occ:1.00
|
CO
|
C:B12204
|
0.0
|
22.7
|
1.0
|
N23
|
C:B12204
|
1.9
|
21.9
|
1.0
|
N21
|
C:B12204
|
1.9
|
21.8
|
1.0
|
N24
|
C:B12204
|
1.9
|
24.7
|
1.0
|
N22
|
C:B12204
|
1.9
|
21.5
|
1.0
|
C11
|
C:B12204
|
2.8
|
24.8
|
1.0
|
C9
|
C:B12204
|
2.9
|
24.2
|
1.0
|
C4
|
C:B12204
|
2.9
|
21.9
|
1.0
|
C19
|
C:B12204
|
2.9
|
28.6
|
1.0
|
C16
|
C:B12204
|
2.9
|
27.9
|
1.0
|
C1
|
C:B12204
|
2.9
|
21.8
|
1.0
|
C14
|
C:B12204
|
2.9
|
23.2
|
1.0
|
HE1
|
C:PHE117
|
2.9
|
29.1
|
1.0
|
C6
|
C:B12204
|
3.0
|
21.1
|
1.0
|
HZ
|
C:PHE117
|
3.1
|
28.5
|
1.0
|
O
|
B:HOH330
|
3.1
|
32.5
|
1.0
|
C10
|
C:B12204
|
3.2
|
24.0
|
1.0
|
H91
|
C:B12204
|
3.3
|
34.3
|
1.0
|
H203
|
C:B12204
|
3.3
|
29.4
|
1.0
|
C5
|
C:B12204
|
3.3
|
23.0
|
1.0
|
C15
|
C:B12204
|
3.4
|
24.9
|
1.0
|
CE1
|
C:PHE117
|
3.6
|
24.2
|
1.0
|
CZ
|
C:PHE117
|
3.6
|
23.8
|
1.0
|
C20
|
C:B12204
|
3.6
|
24.5
|
1.0
|
H262
|
C:B12204
|
3.8
|
26.4
|
1.0
|
C18
|
C:B12204
|
4.1
|
34.0
|
1.0
|
H202
|
C:B12204
|
4.1
|
29.4
|
1.0
|
C2
|
C:B12204
|
4.1
|
20.4
|
1.0
|
H10
|
C:B12204
|
4.1
|
28.8
|
1.0
|
C17
|
C:B12204
|
4.2
|
31.9
|
1.0
|
C3
|
C:B12204
|
4.2
|
21.6
|
1.0
|
C12
|
C:B12204
|
4.2
|
26.3
|
1.0
|
C13
|
C:B12204
|
4.2
|
24.0
|
1.0
|
C8
|
C:B12204
|
4.2
|
21.8
|
1.0
|
H18
|
C:B12204
|
4.2
|
40.9
|
1.0
|
C7
|
C:B12204
|
4.3
|
21.0
|
1.0
|
O2G
|
B:3PO203
|
4.3
|
22.5
|
1.0
|
H562
|
C:B12204
|
4.3
|
48.2
|
1.0
|
H372
|
C:B12204
|
4.4
|
25.5
|
1.0
|
C26
|
C:B12204
|
4.4
|
22.0
|
1.0
|
H412
|
C:B12204
|
4.4
|
23.2
|
1.0
|
H201
|
C:B12204
|
4.4
|
29.4
|
1.0
|
H13
|
C:B12204
|
4.6
|
28.8
|
1.0
|
H261
|
C:B12204
|
4.6
|
26.4
|
1.0
|
H492
|
C:B12204
|
4.6
|
34.4
|
1.0
|
H3
|
C:B12204
|
4.7
|
26.0
|
1.0
|
HD21
|
B:LEU5
|
4.7
|
34.3
|
1.0
|
H541
|
C:B12204
|
4.7
|
36.7
|
1.0
|
H471
|
C:B12204
|
4.7
|
37.3
|
1.0
|
O1G
|
B:3PO203
|
4.7
|
22.0
|
1.0
|
CD1
|
C:PHE117
|
4.8
|
25.2
|
1.0
|
C37
|
C:B12204
|
4.8
|
21.3
|
1.0
|
C41
|
C:B12204
|
4.9
|
19.4
|
1.0
|
C53
|
C:B12204
|
4.9
|
21.8
|
1.0
|
C35
|
C:B12204
|
4.9
|
20.1
|
1.0
|
H8
|
C:B12204
|
4.9
|
26.2
|
1.0
|
C54
|
C:B12204
|
4.9
|
30.6
|
1.0
|
CE2
|
C:PHE117
|
4.9
|
24.4
|
1.0
|
H371
|
C:B12204
|
5.0
|
25.5
|
1.0
|
|
Cobalt binding site 3 out
of 3 in 6wh5
Go back to
Cobalt Binding Sites List in 6wh5
Cobalt binding site 3 out
of 3 in the Mycobacterium Tuberculosis Pduo-Type Atp:Cobalamin Adenosyltransferase Bound to Cob(II)Alamin and Pppi
Mono view
Stereo pair view
|
A full contact list of Cobalt with other atoms in the Co binding
site number 3 of Mycobacterium Tuberculosis Pduo-Type Atp:Cobalamin Adenosyltransferase Bound to Cob(II)Alamin and Pppi within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Co205
b:23.8
occ:1.00
|
CO
|
C:B12205
|
0.0
|
23.8
|
1.0
|
N21
|
C:B12205
|
1.9
|
24.9
|
1.0
|
N23
|
C:B12205
|
1.9
|
24.1
|
1.0
|
N24
|
C:B12205
|
1.9
|
26.2
|
1.0
|
N22
|
C:B12205
|
1.9
|
25.0
|
1.0
|
C11
|
C:B12205
|
2.8
|
27.1
|
1.0
|
C19
|
C:B12205
|
2.8
|
29.4
|
1.0
|
C9
|
C:B12205
|
2.9
|
23.4
|
1.0
|
C1
|
C:B12205
|
2.9
|
24.3
|
1.0
|
C4
|
C:B12205
|
2.9
|
22.6
|
1.0
|
C16
|
C:B12205
|
2.9
|
27.0
|
1.0
|
HE1
|
A:PHE117
|
2.9
|
32.6
|
1.0
|
C14
|
C:B12205
|
2.9
|
26.8
|
1.0
|
C6
|
C:B12205
|
3.0
|
21.9
|
1.0
|
HZ
|
A:PHE117
|
3.0
|
30.2
|
1.0
|
H203
|
C:B12205
|
3.2
|
32.5
|
1.0
|
H91
|
C:B12205
|
3.2
|
35.2
|
1.0
|
C10
|
C:B12205
|
3.2
|
23.8
|
1.0
|
O
|
C:HOH310
|
3.3
|
36.1
|
1.0
|
C5
|
C:B12205
|
3.4
|
23.0
|
1.0
|
C15
|
C:B12205
|
3.4
|
26.9
|
1.0
|
CE1
|
A:PHE117
|
3.5
|
27.2
|
1.0
|
C20
|
C:B12205
|
3.6
|
27.1
|
1.0
|
CZ
|
A:PHE117
|
3.6
|
25.1
|
1.0
|
H262
|
C:B12205
|
3.8
|
27.8
|
1.0
|
H202
|
C:B12205
|
4.1
|
32.5
|
1.0
|
C2
|
C:B12205
|
4.1
|
22.6
|
1.0
|
C18
|
C:B12205
|
4.1
|
34.7
|
1.0
|
H10
|
C:B12205
|
4.1
|
28.6
|
1.0
|
C3
|
C:B12205
|
4.1
|
23.9
|
1.0
|
C17
|
C:B12205
|
4.2
|
31.1
|
1.0
|
C12
|
C:B12205
|
4.2
|
26.7
|
1.0
|
C8
|
C:B12205
|
4.2
|
23.4
|
1.0
|
C13
|
C:B12205
|
4.2
|
25.1
|
1.0
|
H562
|
C:B12205
|
4.2
|
46.3
|
1.0
|
C7
|
C:B12205
|
4.3
|
22.1
|
1.0
|
H201
|
C:B12205
|
4.3
|
32.5
|
1.0
|
O3G
|
C:3PO203
|
4.3
|
20.1
|
1.0
|
H18
|
C:B12205
|
4.4
|
41.6
|
1.0
|
H372
|
C:B12205
|
4.4
|
23.6
|
1.0
|
C26
|
C:B12205
|
4.4
|
23.2
|
1.0
|
H412
|
C:B12205
|
4.4
|
25.5
|
1.0
|
HD21
|
C:LEU5
|
4.6
|
44.6
|
1.0
|
H13
|
C:B12205
|
4.6
|
30.2
|
1.0
|
H261
|
C:B12205
|
4.6
|
27.8
|
1.0
|
H492
|
C:B12205
|
4.6
|
33.7
|
1.0
|
H3
|
C:B12205
|
4.6
|
28.7
|
1.0
|
H541
|
C:B12205
|
4.7
|
37.9
|
1.0
|
O
|
A:HOH356
|
4.7
|
40.5
|
1.0
|
H471
|
C:B12205
|
4.8
|
36.6
|
1.0
|
CD1
|
A:PHE117
|
4.8
|
27.9
|
1.0
|
C37
|
C:B12205
|
4.8
|
19.6
|
1.0
|
O1G
|
C:3PO203
|
4.8
|
24.6
|
1.0
|
C41
|
C:B12205
|
4.9
|
21.2
|
1.0
|
C35
|
C:B12205
|
4.9
|
24.5
|
1.0
|
CE2
|
A:PHE117
|
4.9
|
24.5
|
1.0
|
C53
|
C:B12205
|
4.9
|
25.8
|
1.0
|
H8
|
C:B12205
|
4.9
|
28.1
|
1.0
|
H422
|
C:B12205
|
5.0
|
27.2
|
1.0
|
H463
|
C:B12205
|
5.0
|
34.8
|
1.0
|
H371
|
C:B12205
|
5.0
|
23.6
|
1.0
|
|
Reference:
R.Mascarenhas,
M.Ruetz,
L.Mcdevitt,
M.Koutmos,
R.Banerjee.
Mobile Loop Dynamics in Adenosyltransferase Control Binding and Reactivity of Coenzyme B 12 . Proc.Natl.Acad.Sci.Usa V. 117 30412 2020.
ISSN: ESSN 1091-6490
PubMed: 33199623
DOI: 10.1073/PNAS.2007332117
Page generated: Tue Jul 30 19:06:59 2024
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