Manganese in PDB 8bah: Human MRE11-NBS1 Complex
Manganese Binding Sites:
The binding sites of Manganese atom in the Human MRE11-NBS1 Complex
(pdb code 8bah). This binding sites where shown within
5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the
Human MRE11-NBS1 Complex, PDB code: 8bah:
Jump to Manganese binding site number:
1;
2;
3;
4;
Manganese binding site 1 out
of 4 in 8bah
Go back to
Manganese Binding Sites List in 8bah
Manganese binding site 1 out
of 4 in the Human MRE11-NBS1 Complex
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 1 of Human MRE11-NBS1 Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn801
b:141.5
occ:1.00
|
NE2
|
A:HIS22
|
2.0
|
96.7
|
1.0
|
NE2
|
A:HIS247
|
2.1
|
103.3
|
1.0
|
OD2
|
A:ASP60
|
2.3
|
100.4
|
1.0
|
OD2
|
A:ASP20
|
2.4
|
98.3
|
1.0
|
CE1
|
A:HIS22
|
2.7
|
96.7
|
1.0
|
HE1
|
A:HIS22
|
2.7
|
96.7
|
1.0
|
CG
|
A:ASP20
|
2.9
|
98.3
|
1.0
|
MN
|
A:MN802
|
3.0
|
138.6
|
1.0
|
CE1
|
A:HIS247
|
3.1
|
103.3
|
1.0
|
CD2
|
A:HIS247
|
3.1
|
103.3
|
1.0
|
CD2
|
A:HIS22
|
3.2
|
96.7
|
1.0
|
HE1
|
A:HIS247
|
3.2
|
103.3
|
1.0
|
HD2
|
A:HIS247
|
3.3
|
103.3
|
1.0
|
HB3
|
A:ASP20
|
3.3
|
98.3
|
1.0
|
CG
|
A:ASP60
|
3.4
|
100.4
|
1.0
|
OD1
|
A:ASP20
|
3.4
|
98.3
|
1.0
|
HD2
|
A:HIS22
|
3.5
|
96.7
|
1.0
|
HB3
|
A:ASP60
|
3.6
|
100.4
|
1.0
|
CB
|
A:ASP20
|
3.6
|
98.3
|
1.0
|
HE1
|
A:HIS217
|
3.6
|
99.0
|
1.0
|
HB2
|
A:ASP60
|
3.7
|
100.4
|
1.0
|
CB
|
A:ASP60
|
3.8
|
100.4
|
1.0
|
ND1
|
A:HIS22
|
3.9
|
96.7
|
1.0
|
HA
|
A:ASP20
|
4.0
|
98.3
|
1.0
|
CG
|
A:HIS22
|
4.1
|
96.7
|
1.0
|
ND1
|
A:HIS245
|
4.2
|
103.4
|
1.0
|
ND1
|
A:HIS247
|
4.2
|
103.3
|
1.0
|
CG
|
A:HIS247
|
4.3
|
103.3
|
1.0
|
O
|
A:HIS245
|
4.3
|
103.4
|
1.0
|
HE1
|
A:HIS245
|
4.3
|
103.4
|
1.0
|
CE1
|
A:HIS217
|
4.4
|
99.0
|
1.0
|
HB2
|
A:ASP20
|
4.4
|
98.3
|
1.0
|
CA
|
A:ASP20
|
4.4
|
98.3
|
1.0
|
OD1
|
A:ASP60
|
4.5
|
100.4
|
1.0
|
HD22
|
A:ASN129
|
4.5
|
103.3
|
1.0
|
HD21
|
A:ASN129
|
4.5
|
103.3
|
1.0
|
HA
|
A:HIS245
|
4.6
|
103.4
|
1.0
|
NE2
|
A:HIS217
|
4.6
|
99.0
|
1.0
|
HD1
|
A:HIS22
|
4.6
|
96.7
|
1.0
|
CE1
|
A:HIS245
|
4.6
|
103.4
|
1.0
|
OD1
|
A:ASN128
|
4.6
|
99.6
|
1.0
|
HD21
|
A:ASN128
|
4.7
|
99.6
|
1.0
|
ND2
|
A:ASN129
|
4.7
|
103.3
|
1.0
|
HD1
|
A:HIS247
|
5.0
|
103.3
|
1.0
|
HG21
|
A:THR272
|
5.0
|
106.6
|
1.0
|
|
Manganese binding site 2 out
of 4 in 8bah
Go back to
Manganese Binding Sites List in 8bah
Manganese binding site 2 out
of 4 in the Human MRE11-NBS1 Complex
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 2 of Human MRE11-NBS1 Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn802
b:138.6
occ:1.00
|
OD1
|
A:ASN128
|
2.0
|
99.6
|
1.0
|
ND1
|
A:HIS245
|
2.1
|
103.4
|
1.0
|
OD2
|
A:ASP60
|
2.2
|
100.4
|
1.0
|
NE2
|
A:HIS217
|
2.2
|
99.0
|
1.0
|
HE1
|
A:HIS245
|
2.8
|
103.4
|
1.0
|
CE1
|
A:HIS245
|
2.8
|
103.4
|
1.0
|
HE1
|
A:HIS217
|
2.8
|
99.0
|
1.0
|
CE1
|
A:HIS217
|
2.9
|
99.0
|
1.0
|
CG
|
A:ASN128
|
3.0
|
99.6
|
1.0
|
MN
|
A:MN801
|
3.0
|
141.5
|
1.0
|
HD21
|
A:ASN128
|
3.1
|
99.6
|
1.0
|
CG
|
A:ASP60
|
3.2
|
100.4
|
1.0
|
CG
|
A:HIS245
|
3.3
|
103.4
|
1.0
|
CD2
|
A:HIS217
|
3.4
|
99.0
|
1.0
|
ND2
|
A:ASN128
|
3.4
|
99.6
|
1.0
|
OD1
|
A:ASP60
|
3.5
|
100.4
|
1.0
|
HB2
|
A:HIS245
|
3.7
|
103.4
|
1.0
|
HA
|
A:HIS245
|
3.7
|
103.4
|
1.0
|
OD2
|
A:ASP20
|
3.7
|
98.3
|
1.0
|
HD2
|
A:HIS217
|
3.7
|
99.0
|
1.0
|
H
|
A:ASN128
|
3.9
|
99.6
|
1.0
|
CB
|
A:HIS245
|
3.9
|
103.4
|
1.0
|
NE2
|
A:HIS245
|
4.0
|
103.4
|
1.0
|
ND1
|
A:HIS217
|
4.1
|
99.0
|
1.0
|
CA
|
A:HIS245
|
4.2
|
103.4
|
1.0
|
HD22
|
A:ASN128
|
4.3
|
99.6
|
1.0
|
O
|
A:HIS245
|
4.3
|
103.4
|
1.0
|
CD2
|
A:HIS245
|
4.3
|
103.4
|
1.0
|
CB
|
A:ASN128
|
4.3
|
99.6
|
1.0
|
CG
|
A:HIS217
|
4.3
|
99.0
|
1.0
|
HB3
|
A:ASN128
|
4.4
|
99.6
|
1.0
|
H
|
A:ASN129
|
4.5
|
103.3
|
1.0
|
NE2
|
A:HIS247
|
4.5
|
103.3
|
1.0
|
CB
|
A:ASP60
|
4.5
|
100.4
|
1.0
|
CG
|
A:ASP20
|
4.6
|
98.3
|
1.0
|
N
|
A:ASN128
|
4.6
|
99.6
|
1.0
|
OD1
|
A:ASP20
|
4.7
|
98.3
|
1.0
|
HB2
|
A:ASP60
|
4.7
|
100.4
|
1.0
|
HE2
|
A:HIS245
|
4.7
|
103.4
|
1.0
|
NE2
|
A:HIS22
|
4.7
|
96.7
|
1.0
|
C
|
A:HIS245
|
4.7
|
103.4
|
1.0
|
HD1
|
A:HIS217
|
4.8
|
99.0
|
1.0
|
HB3
|
A:ASP60
|
4.8
|
100.4
|
1.0
|
HB3
|
A:HIS245
|
4.8
|
103.4
|
1.0
|
HD2
|
A:HIS247
|
4.8
|
103.3
|
1.0
|
HE1
|
A:HIS22
|
4.9
|
96.7
|
1.0
|
HB2
|
A:ASN128
|
5.0
|
99.6
|
1.0
|
|
Manganese binding site 3 out
of 4 in 8bah
Go back to
Manganese Binding Sites List in 8bah
Manganese binding site 3 out
of 4 in the Human MRE11-NBS1 Complex
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 3 of Human MRE11-NBS1 Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mn801
b:141.3
occ:1.00
|
NE2
|
B:HIS22
|
2.0
|
92.7
|
1.0
|
OD2
|
B:ASP20
|
2.0
|
91.1
|
1.0
|
HE2
|
B:HIS247
|
2.2
|
96.8
|
1.0
|
HE1
|
B:HIS22
|
2.3
|
92.7
|
1.0
|
CE1
|
B:HIS22
|
2.4
|
92.7
|
1.0
|
OD2
|
B:ASP60
|
2.5
|
93.6
|
1.0
|
NE2
|
B:HIS247
|
2.7
|
96.8
|
1.0
|
CG
|
B:ASP20
|
2.8
|
91.1
|
1.0
|
MN
|
B:MN802
|
2.9
|
138.2
|
1.0
|
HE1
|
B:HIS247
|
3.2
|
96.8
|
1.0
|
CE1
|
B:HIS247
|
3.2
|
96.8
|
1.0
|
CD2
|
B:HIS22
|
3.3
|
92.7
|
1.0
|
HB3
|
B:ASP20
|
3.5
|
91.1
|
1.0
|
OD1
|
B:ASP20
|
3.5
|
91.1
|
1.0
|
CG
|
B:ASP60
|
3.6
|
93.6
|
1.0
|
ND1
|
B:HIS22
|
3.7
|
92.7
|
1.0
|
CB
|
B:ASP20
|
3.7
|
91.1
|
1.0
|
HD2
|
B:HIS22
|
3.8
|
92.7
|
1.0
|
CD2
|
B:HIS247
|
3.8
|
96.8
|
1.0
|
HA
|
B:ASP20
|
3.8
|
91.1
|
1.0
|
HB3
|
B:ASP60
|
3.8
|
93.6
|
1.0
|
HB2
|
B:ASP60
|
3.8
|
93.6
|
1.0
|
HE1
|
B:HIS217
|
3.8
|
96.6
|
1.0
|
HD1
|
B:HIS245
|
4.0
|
96.6
|
1.0
|
CB
|
B:ASP60
|
4.0
|
93.6
|
1.0
|
CG
|
B:HIS22
|
4.1
|
92.7
|
1.0
|
HD2
|
B:HIS247
|
4.1
|
96.8
|
1.0
|
O
|
B:HIS245
|
4.2
|
96.6
|
1.0
|
ND1
|
B:HIS247
|
4.3
|
96.8
|
1.0
|
NE2
|
B:HIS217
|
4.3
|
96.6
|
1.0
|
HD1
|
B:HIS22
|
4.3
|
92.7
|
1.0
|
CA
|
B:ASP20
|
4.3
|
91.1
|
1.0
|
HE1
|
B:HIS245
|
4.4
|
96.6
|
1.0
|
ND1
|
B:HIS245
|
4.4
|
96.6
|
1.0
|
CE1
|
B:HIS217
|
4.4
|
96.6
|
1.0
|
HA
|
B:HIS245
|
4.4
|
96.6
|
1.0
|
HB2
|
B:ASP20
|
4.5
|
91.1
|
1.0
|
CE1
|
B:HIS245
|
4.6
|
96.6
|
1.0
|
CG
|
B:HIS247
|
4.6
|
96.8
|
1.0
|
HD21
|
B:ASN129
|
4.6
|
98.5
|
1.0
|
OD1
|
B:ASP60
|
4.7
|
93.6
|
1.0
|
HD22
|
B:ASN129
|
4.7
|
98.5
|
1.0
|
OD1
|
B:ASN128
|
4.7
|
92.4
|
1.0
|
ND2
|
B:ASN129
|
4.8
|
98.5
|
1.0
|
HD21
|
B:ASN128
|
4.9
|
92.4
|
1.0
|
HG21
|
B:THR272
|
5.0
|
100.7
|
1.0
|
|
Manganese binding site 4 out
of 4 in 8bah
Go back to
Manganese Binding Sites List in 8bah
Manganese binding site 4 out
of 4 in the Human MRE11-NBS1 Complex
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 4 of Human MRE11-NBS1 Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mn802
b:138.2
occ:1.00
|
HD1
|
B:HIS245
|
1.7
|
96.6
|
1.0
|
ND1
|
B:HIS245
|
2.3
|
96.6
|
1.0
|
OD2
|
B:ASP60
|
2.3
|
93.6
|
1.0
|
HE1
|
B:HIS245
|
2.4
|
96.6
|
1.0
|
NE2
|
B:HIS217
|
2.6
|
96.6
|
1.0
|
OD1
|
B:ASN128
|
2.6
|
92.4
|
1.0
|
CE1
|
B:HIS245
|
2.6
|
96.6
|
1.0
|
HD21
|
B:ASN128
|
2.7
|
92.4
|
1.0
|
MN
|
B:MN801
|
2.9
|
141.3
|
1.0
|
CG
|
B:ASN128
|
3.0
|
92.4
|
1.0
|
ND2
|
B:ASN128
|
3.1
|
92.4
|
1.0
|
CG
|
B:ASP60
|
3.4
|
93.6
|
1.0
|
CE1
|
B:HIS217
|
3.5
|
96.6
|
1.0
|
CD2
|
B:HIS217
|
3.5
|
96.6
|
1.0
|
CG
|
B:HIS245
|
3.6
|
96.6
|
1.0
|
HE1
|
B:HIS217
|
3.6
|
96.6
|
1.0
|
HD2
|
B:HIS217
|
3.7
|
96.6
|
1.0
|
OD2
|
B:ASP20
|
3.7
|
91.1
|
1.0
|
HA
|
B:HIS245
|
3.7
|
96.6
|
1.0
|
OD1
|
B:ASP60
|
3.8
|
93.6
|
1.0
|
H
|
B:ASN128
|
3.8
|
92.4
|
1.0
|
HD22
|
B:ASN128
|
3.8
|
92.4
|
1.0
|
HE1
|
B:HIS22
|
3.8
|
92.7
|
1.0
|
NE2
|
B:HIS245
|
3.9
|
96.6
|
1.0
|
HE1
|
B:HIS247
|
4.1
|
96.8
|
1.0
|
CB
|
B:ASN128
|
4.3
|
92.4
|
1.0
|
CB
|
B:HIS245
|
4.3
|
96.6
|
1.0
|
HB2
|
B:HIS245
|
4.3
|
96.6
|
1.0
|
CD2
|
B:HIS245
|
4.4
|
96.6
|
1.0
|
H
|
B:ASN129
|
4.4
|
98.5
|
1.0
|
HB3
|
B:ASN128
|
4.4
|
92.4
|
1.0
|
CA
|
B:HIS245
|
4.4
|
96.6
|
1.0
|
O
|
B:HIS245
|
4.5
|
96.6
|
1.0
|
N
|
B:ASN128
|
4.5
|
92.4
|
1.0
|
CE1
|
B:HIS22
|
4.5
|
92.7
|
1.0
|
CB
|
B:ASP60
|
4.6
|
93.6
|
1.0
|
ND1
|
B:HIS217
|
4.6
|
96.6
|
1.0
|
HB2
|
B:ASP60
|
4.6
|
93.6
|
1.0
|
HE2
|
B:HIS247
|
4.6
|
96.8
|
1.0
|
CE1
|
B:HIS247
|
4.7
|
96.8
|
1.0
|
CG
|
B:HIS217
|
4.7
|
96.6
|
1.0
|
NE2
|
B:HIS22
|
4.7
|
92.7
|
1.0
|
CG
|
B:ASP20
|
4.7
|
91.1
|
1.0
|
HD21
|
B:ASN129
|
4.8
|
98.5
|
1.0
|
ND2
|
B:ASN129
|
4.9
|
98.5
|
1.0
|
HB3
|
B:ASP60
|
4.9
|
93.6
|
1.0
|
C
|
B:HIS245
|
4.9
|
96.6
|
1.0
|
NE2
|
B:HIS247
|
4.9
|
96.8
|
1.0
|
HA3
|
B:GLY127
|
5.0
|
95.2
|
1.0
|
|
Reference:
M.Rotheneder,
K.Stakyte,
E.Van De Logt,
J.D.Bartho,
K.Lammens,
Y.Fan,
A.Alt,
B.Kessler,
C.Jung,
W.P.Roos,
B.Steigenberger,
K.P.Hopfner.
Cryo-Em Structure of the MRE11-RAD50-NBS1 Complex Reveals the Molecular Mechanism of Scaffolding Functions. Mol.Cell 2022.
ISSN: ISSN 1097-2765
PubMed: 36577401
DOI: 10.1016/J.MOLCEL.2022.12.003
Page generated: Sun Oct 6 11:24:05 2024
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