Manganese in PDB 7wl0: Crystal Structure of Human ALKBH5 in Complex with N-Oxalylglycine (Nog) and M6A-Containing Ssrna
Enzymatic activity of Crystal Structure of Human ALKBH5 in Complex with N-Oxalylglycine (Nog) and M6A-Containing Ssrna
All present enzymatic activity of Crystal Structure of Human ALKBH5 in Complex with N-Oxalylglycine (Nog) and M6A-Containing Ssrna:
1.14.11.53;
Protein crystallography data
The structure of Crystal Structure of Human ALKBH5 in Complex with N-Oxalylglycine (Nog) and M6A-Containing Ssrna, PDB code: 7wl0
was solved by
S.Kaur,
M.A.Mcdonough,
C.J.Schofield,
W.S.Aik,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
58.67 /
2.50
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
59.77,
132.37,
77.96,
90,
100.99,
90
|
R / Rfree (%)
|
19.6 /
24
|
Manganese Binding Sites:
The binding sites of Manganese atom in the Crystal Structure of Human ALKBH5 in Complex with N-Oxalylglycine (Nog) and M6A-Containing Ssrna
(pdb code 7wl0). This binding sites where shown within
5.0 Angstroms radius around Manganese atom.
In total 5 binding sites of Manganese where determined in the
Crystal Structure of Human ALKBH5 in Complex with N-Oxalylglycine (Nog) and M6A-Containing Ssrna, PDB code: 7wl0:
Jump to Manganese binding site number:
1;
2;
3;
4;
5;
Manganese binding site 1 out
of 5 in 7wl0
Go back to
Manganese Binding Sites List in 7wl0
Manganese binding site 1 out
of 5 in the Crystal Structure of Human ALKBH5 in Complex with N-Oxalylglycine (Nog) and M6A-Containing Ssrna
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 Human ALKBH5 in Complex with N-Oxalylglycine (Nog) and M6A-Containing Ssrna within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn301
b:54.6
occ:1.00
|
O2'
|
A:OGA302
|
1.9
|
39.1
|
1.0
|
O2
|
A:OGA302
|
2.0
|
46.6
|
1.0
|
NE2
|
A:HIS266
|
2.1
|
40.1
|
1.0
|
OD1
|
A:ASP206
|
2.2
|
33.4
|
1.0
|
NE2
|
A:HIS204
|
2.3
|
38.6
|
1.0
|
C2
|
A:OGA302
|
2.5
|
36.5
|
1.0
|
C1
|
A:OGA302
|
2.5
|
41.5
|
1.0
|
O
|
A:HOH426
|
2.6
|
36.9
|
1.0
|
CE1
|
A:HIS266
|
2.8
|
36.0
|
1.0
|
CG
|
A:ASP206
|
3.2
|
36.3
|
1.0
|
CE1
|
A:HIS204
|
3.2
|
38.1
|
1.0
|
CD2
|
A:HIS204
|
3.3
|
38.0
|
1.0
|
CD2
|
A:HIS266
|
3.3
|
33.4
|
1.0
|
OD2
|
A:ASP206
|
3.4
|
36.8
|
1.0
|
O1
|
A:OGA302
|
3.7
|
42.1
|
1.0
|
N1
|
A:OGA302
|
3.8
|
39.7
|
1.0
|
C9
|
B:6MZ4
|
4.0
|
37.3
|
1.0
|
ND1
|
A:HIS266
|
4.0
|
32.7
|
1.0
|
N6
|
B:6MZ4
|
4.2
|
38.4
|
1.0
|
NH1
|
A:ARG283
|
4.2
|
36.6
|
1.0
|
CG
|
A:HIS266
|
4.3
|
35.9
|
1.0
|
ND1
|
A:HIS204
|
4.3
|
35.6
|
1.0
|
CG
|
A:HIS204
|
4.4
|
36.5
|
1.0
|
C4
|
A:OGA302
|
4.5
|
42.2
|
1.0
|
CB
|
A:ASP206
|
4.6
|
32.5
|
1.0
|
O
|
A:HOH433
|
4.6
|
35.5
|
1.0
|
CD1
|
A:ILE281
|
4.9
|
33.7
|
1.0
|
CA
|
A:ASP206
|
4.9
|
32.6
|
1.0
|
N
|
A:ASP206
|
4.9
|
35.0
|
1.0
|
|
Manganese binding site 2 out
of 5 in 7wl0
Go back to
Manganese Binding Sites List in 7wl0
Manganese binding site 2 out
of 5 in the Crystal Structure of Human ALKBH5 in Complex with N-Oxalylglycine (Nog) and M6A-Containing Ssrna
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 Human ALKBH5 in Complex with N-Oxalylglycine (Nog) and M6A-Containing Ssrna within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mn301
b:44.4
occ:1.00
|
O2'
|
C:OGA302
|
1.9
|
51.6
|
1.0
|
O2
|
C:OGA302
|
1.9
|
45.0
|
1.0
|
O
|
C:HOH401
|
2.1
|
38.8
|
1.0
|
OD1
|
C:ASP206
|
2.3
|
37.6
|
1.0
|
NE2
|
C:HIS266
|
2.3
|
41.9
|
1.0
|
NE2
|
C:HIS204
|
2.4
|
38.0
|
1.0
|
C1
|
C:OGA302
|
2.4
|
44.0
|
1.0
|
C2
|
C:OGA302
|
2.5
|
47.6
|
1.0
|
CE1
|
C:HIS266
|
3.1
|
37.0
|
1.0
|
CG
|
C:ASP206
|
3.2
|
37.0
|
1.0
|
CD2
|
C:HIS204
|
3.3
|
37.6
|
1.0
|
CE1
|
C:HIS204
|
3.4
|
40.0
|
1.0
|
CD2
|
C:HIS266
|
3.4
|
37.0
|
1.0
|
OD2
|
C:ASP206
|
3.5
|
34.9
|
1.0
|
O1
|
C:OGA302
|
3.6
|
46.4
|
1.0
|
N1
|
C:OGA302
|
3.7
|
47.1
|
1.0
|
C9
|
D:6MZ4
|
4.0
|
38.2
|
1.0
|
NH1
|
C:ARG283
|
4.1
|
37.3
|
1.0
|
O
|
C:HOH438
|
4.1
|
42.8
|
1.0
|
N6
|
D:6MZ4
|
4.3
|
35.0
|
1.0
|
ND1
|
C:HIS266
|
4.3
|
33.6
|
1.0
|
ND1
|
C:HIS204
|
4.5
|
37.9
|
1.0
|
CG
|
C:HIS266
|
4.5
|
35.4
|
1.0
|
CG
|
C:HIS204
|
4.5
|
36.2
|
1.0
|
C4
|
C:OGA302
|
4.5
|
48.7
|
1.0
|
CB
|
C:ASP206
|
4.6
|
40.6
|
1.0
|
N
|
C:ASP206
|
4.9
|
38.1
|
1.0
|
CA
|
C:ASP206
|
4.9
|
36.2
|
1.0
|
CD1
|
C:ILE281
|
5.0
|
44.4
|
1.0
|
|
Manganese binding site 3 out
of 5 in 7wl0
Go back to
Manganese Binding Sites List in 7wl0
Manganese binding site 3 out
of 5 in the Crystal Structure of Human ALKBH5 in Complex with N-Oxalylglycine (Nog) and M6A-Containing Ssrna
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 Human ALKBH5 in Complex with N-Oxalylglycine (Nog) and M6A-Containing Ssrna within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Mn301
b:43.3
occ:1.00
|
O2'
|
E:OGA302
|
1.9
|
42.8
|
1.0
|
O2
|
E:OGA302
|
2.0
|
45.9
|
1.0
|
NE2
|
E:HIS266
|
2.2
|
40.5
|
1.0
|
O
|
E:HOH418
|
2.3
|
35.6
|
1.0
|
C2
|
E:OGA302
|
2.4
|
43.7
|
1.0
|
OD1
|
E:ASP206
|
2.4
|
33.9
|
1.0
|
C1
|
E:OGA302
|
2.5
|
43.9
|
1.0
|
NE2
|
E:HIS204
|
2.5
|
36.5
|
1.0
|
CE1
|
E:HIS266
|
2.9
|
36.8
|
1.0
|
CG
|
E:ASP206
|
3.3
|
40.1
|
1.0
|
CD2
|
E:HIS266
|
3.3
|
39.0
|
1.0
|
CE1
|
E:HIS204
|
3.4
|
39.4
|
1.0
|
OD2
|
E:ASP206
|
3.5
|
44.5
|
1.0
|
CD2
|
E:HIS204
|
3.5
|
36.0
|
1.0
|
N1
|
E:OGA302
|
3.6
|
45.1
|
1.0
|
O1
|
E:OGA302
|
3.7
|
43.5
|
1.0
|
O
|
E:HOH430
|
3.9
|
43.4
|
1.0
|
NH1
|
E:ARG283
|
4.1
|
35.8
|
1.0
|
ND1
|
E:HIS266
|
4.1
|
37.5
|
1.0
|
C9
|
F:6MZ4
|
4.2
|
42.2
|
1.0
|
C4
|
E:OGA302
|
4.3
|
46.5
|
1.0
|
CG
|
E:HIS266
|
4.3
|
38.5
|
1.0
|
N6
|
F:6MZ4
|
4.5
|
40.8
|
1.0
|
ND1
|
E:HIS204
|
4.5
|
41.1
|
1.0
|
CG
|
E:HIS204
|
4.6
|
39.1
|
1.0
|
CB
|
E:ASP206
|
4.7
|
38.2
|
1.0
|
CD1
|
E:ILE281
|
5.0
|
40.4
|
1.0
|
|
Manganese binding site 4 out
of 5 in 7wl0
Go back to
Manganese Binding Sites List in 7wl0
Manganese binding site 4 out
of 5 in the Crystal Structure of Human ALKBH5 in Complex with N-Oxalylglycine (Nog) and M6A-Containing Ssrna
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 Human ALKBH5 in Complex with N-Oxalylglycine (Nog) and M6A-Containing Ssrna within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Mn301
b:42.0
occ:1.00
|
O2'
|
G:OGA302
|
2.1
|
52.2
|
1.0
|
NE2
|
G:HIS266
|
2.1
|
40.2
|
1.0
|
O2
|
G:OGA302
|
2.2
|
49.5
|
1.0
|
OD1
|
G:ASP206
|
2.2
|
37.2
|
1.0
|
O
|
G:HOH424
|
2.4
|
40.3
|
1.0
|
NE2
|
G:HIS204
|
2.5
|
39.6
|
1.0
|
C2
|
G:OGA302
|
2.5
|
50.8
|
1.0
|
C1
|
G:OGA302
|
2.7
|
51.9
|
1.0
|
CE1
|
G:HIS266
|
2.7
|
39.1
|
1.0
|
CG
|
G:ASP206
|
3.2
|
38.0
|
1.0
|
CD2
|
G:HIS204
|
3.4
|
40.7
|
1.0
|
OD2
|
G:ASP206
|
3.4
|
37.7
|
1.0
|
CD2
|
G:HIS266
|
3.4
|
41.0
|
1.0
|
CE1
|
G:HIS204
|
3.5
|
42.6
|
1.0
|
N1
|
G:OGA302
|
3.7
|
48.0
|
1.0
|
O1
|
G:OGA302
|
3.9
|
49.4
|
1.0
|
NH1
|
G:ARG283
|
4.0
|
41.7
|
1.0
|
ND1
|
G:HIS266
|
4.0
|
39.1
|
1.0
|
C9
|
H:6MZ4
|
4.1
|
52.0
|
1.0
|
N6
|
H:6MZ4
|
4.2
|
49.1
|
1.0
|
CG
|
G:HIS266
|
4.3
|
39.6
|
1.0
|
C4
|
G:OGA302
|
4.4
|
51.0
|
1.0
|
CG
|
G:HIS204
|
4.5
|
42.7
|
1.0
|
CB
|
G:ASP206
|
4.6
|
37.4
|
1.0
|
ND1
|
G:HIS204
|
4.6
|
43.4
|
1.0
|
N
|
G:ASP206
|
4.9
|
35.3
|
1.0
|
CA
|
G:ASP206
|
4.9
|
36.2
|
1.0
|
|
Manganese binding site 5 out
of 5 in 7wl0
Go back to
Manganese Binding Sites List in 7wl0
Manganese binding site 5 out
of 5 in the Crystal Structure of Human ALKBH5 in Complex with N-Oxalylglycine (Nog) and M6A-Containing Ssrna
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 Human ALKBH5 in Complex with N-Oxalylglycine (Nog) and M6A-Containing Ssrna within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Mn301
b:36.4
occ:1.00
|
O2'
|
I:OGA302
|
1.9
|
50.1
|
1.0
|
OD1
|
I:ASP206
|
2.3
|
46.7
|
1.0
|
NE2
|
I:HIS204
|
2.3
|
41.2
|
1.0
|
NE2
|
I:HIS266
|
2.3
|
44.1
|
1.0
|
C2
|
I:OGA302
|
2.7
|
53.0
|
1.0
|
O1
|
I:OGA302
|
2.9
|
46.9
|
1.0
|
CE1
|
I:HIS204
|
3.1
|
44.2
|
1.0
|
CG
|
I:ASP206
|
3.1
|
42.7
|
1.0
|
C1
|
I:OGA302
|
3.1
|
49.1
|
1.0
|
CE1
|
I:HIS266
|
3.2
|
40.0
|
1.0
|
OD2
|
I:ASP206
|
3.3
|
37.7
|
1.0
|
CD2
|
I:HIS266
|
3.4
|
38.5
|
1.0
|
CD2
|
I:HIS204
|
3.4
|
41.8
|
1.0
|
N1
|
I:OGA302
|
3.8
|
54.4
|
1.0
|
NH1
|
I:ARG283
|
4.0
|
48.8
|
1.0
|
C9
|
J:6MZ4
|
4.1
|
54.1
|
1.0
|
ND1
|
I:HIS204
|
4.3
|
44.4
|
1.0
|
N6
|
J:6MZ4
|
4.3
|
51.8
|
1.0
|
O2
|
I:OGA302
|
4.3
|
50.9
|
1.0
|
ND1
|
I:HIS266
|
4.4
|
42.0
|
1.0
|
C4
|
I:OGA302
|
4.4
|
54.0
|
1.0
|
CG
|
I:HIS204
|
4.4
|
43.6
|
1.0
|
CG
|
I:HIS266
|
4.5
|
38.3
|
1.0
|
CB
|
I:ASP206
|
4.5
|
42.8
|
1.0
|
N
|
I:ASP206
|
4.9
|
40.8
|
1.0
|
CA
|
I:ASP206
|
5.0
|
43.6
|
1.0
|
|
Reference:
S.Kaur,
N.Y.Tam,
M.A.Mcdonough,
C.J.Schofield,
W.S.Aik.
Mechanisms of Substrate Recognition and N6-Methyladenosine Demethylation Revealed By Crystal Structures of ALKBH5-Rna Complexes. Nucleic Acids Res. V. 50 4148 2022.
ISSN: ESSN 1362-4962
PubMed: 35333330
DOI: 10.1093/NAR/GKAC195
Page generated: Sun Oct 6 11:01:31 2024
|