Magnesium in PDB 7jn3: Cryo-Em Structure of Rous Sarcoma Virus Cleaved Synaptic Complex (Csc) with Hiv-1 Integrase Strand Transfer Inhibitor Mk-2048
Enzymatic activity of Cryo-Em Structure of Rous Sarcoma Virus Cleaved Synaptic Complex (Csc) with Hiv-1 Integrase Strand Transfer Inhibitor Mk-2048
All present enzymatic activity of Cryo-Em Structure of Rous Sarcoma Virus Cleaved Synaptic Complex (Csc) with Hiv-1 Integrase Strand Transfer Inhibitor Mk-2048:
2.7.7.49;
2.7.7.7;
3.1.26.4;
Other elements in 7jn3:
The structure of Cryo-Em Structure of Rous Sarcoma Virus Cleaved Synaptic Complex (Csc) with Hiv-1 Integrase Strand Transfer Inhibitor Mk-2048 also contains other interesting chemical elements:
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Cryo-Em Structure of Rous Sarcoma Virus Cleaved Synaptic Complex (Csc) with Hiv-1 Integrase Strand Transfer Inhibitor Mk-2048
(pdb code 7jn3). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the
Cryo-Em Structure of Rous Sarcoma Virus Cleaved Synaptic Complex (Csc) with Hiv-1 Integrase Strand Transfer Inhibitor Mk-2048, PDB code: 7jn3:
Jump to Magnesium binding site number:
1;
2;
3;
4;
Magnesium binding site 1 out
of 4 in 7jn3
Go back to
Magnesium Binding Sites List in 7jn3
Magnesium binding site 1 out
of 4 in the Cryo-Em Structure of Rous Sarcoma Virus Cleaved Synaptic Complex (Csc) with Hiv-1 Integrase Strand Transfer Inhibitor Mk-2048
 Mono view
 Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Cryo-Em Structure of Rous Sarcoma Virus Cleaved Synaptic Complex (Csc) with Hiv-1 Integrase Strand Transfer Inhibitor Mk-2048 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg303
b:39.9
occ:1.00
|
OAG
|
A:ZZX302
|
2.0
|
53.6
|
1.0
|
OE2
|
A:GLU157
|
2.0
|
36.7
|
1.0
|
OD1
|
A:ASP64
|
2.0
|
34.7
|
1.0
|
OD2
|
A:ASP64
|
2.2
|
34.7
|
1.0
|
CG
|
A:ASP64
|
2.3
|
34.7
|
1.0
|
OE1
|
A:GLU157
|
2.5
|
36.7
|
1.0
|
CD
|
A:GLU157
|
2.6
|
36.7
|
1.0
|
OAF
|
A:ZZX302
|
2.7
|
53.6
|
1.0
|
CAW
|
A:ZZX302
|
2.9
|
53.6
|
1.0
|
MG
|
A:MG304
|
3.3
|
37.0
|
1.0
|
CBA
|
A:ZZX302
|
3.3
|
53.6
|
1.0
|
CAZ
|
A:ZZX302
|
3.3
|
53.6
|
1.0
|
CB
|
A:ASP64
|
3.6
|
34.7
|
1.0
|
CAY
|
A:ZZX302
|
3.7
|
53.6
|
1.0
|
CG
|
A:GLU157
|
4.0
|
36.7
|
1.0
|
OD1
|
A:ASP121
|
4.2
|
46.6
|
1.0
|
CB
|
A:SER150
|
4.2
|
51.5
|
1.0
|
OAE
|
A:ZZX302
|
4.3
|
53.6
|
1.0
|
CAS
|
A:ZZX302
|
4.4
|
53.6
|
1.0
|
NBE
|
A:ZZX302
|
4.5
|
53.6
|
1.0
|
CBB
|
A:ZZX302
|
4.5
|
53.6
|
1.0
|
CA
|
A:ASP64
|
4.6
|
34.7
|
1.0
|
OG
|
A:SER150
|
4.6
|
51.5
|
1.0
|
NBF
|
A:ZZX302
|
4.7
|
53.6
|
1.0
|
N
|
A:PHE65
|
4.8
|
36.4
|
1.0
|
CG
|
A:ASP121
|
5.0
|
46.6
|
1.0
|
CB
|
A:GLU157
|
5.0
|
36.7
|
1.0
|
O
|
A:PHE65
|
5.0
|
36.4
|
1.0
|
|
Magnesium binding site 2 out
of 4 in 7jn3
Go back to
Magnesium Binding Sites List in 7jn3
Magnesium binding site 2 out
of 4 in the Cryo-Em Structure of Rous Sarcoma Virus Cleaved Synaptic Complex (Csc) with Hiv-1 Integrase Strand Transfer Inhibitor Mk-2048
 Mono view
 Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Cryo-Em Structure of Rous Sarcoma Virus Cleaved Synaptic Complex (Csc) with Hiv-1 Integrase Strand Transfer Inhibitor Mk-2048 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg304
b:37.0
occ:1.00
|
OD1
|
A:ASP64
|
2.2
|
34.7
|
1.0
|
OD1
|
A:ASP121
|
2.4
|
46.6
|
1.0
|
OAE
|
A:ZZX302
|
2.5
|
53.6
|
1.0
|
OD2
|
A:ASP121
|
2.6
|
46.6
|
1.0
|
CG
|
A:ASP121
|
2.7
|
46.6
|
1.0
|
CAS
|
A:ZZX302
|
2.9
|
53.6
|
1.0
|
OAG
|
A:ZZX302
|
3.0
|
53.6
|
1.0
|
MG
|
A:MG303
|
3.3
|
39.9
|
1.0
|
CAY
|
A:ZZX302
|
3.4
|
53.6
|
1.0
|
CG
|
A:ASP64
|
3.4
|
34.7
|
1.0
|
CAW
|
A:ZZX302
|
3.6
|
53.6
|
1.0
|
NBD
|
A:ZZX302
|
3.7
|
53.6
|
1.0
|
CB
|
A:ASP121
|
4.1
|
46.6
|
1.0
|
CAM
|
A:ZZX302
|
4.1
|
53.6
|
1.0
|
CA
|
A:ASP64
|
4.2
|
34.7
|
1.0
|
N
|
A:PHE65
|
4.2
|
36.4
|
1.0
|
OD2
|
A:ASP64
|
4.3
|
34.7
|
1.0
|
CB
|
A:ASP64
|
4.3
|
34.7
|
1.0
|
CD2
|
A:PHE65
|
4.4
|
36.4
|
1.0
|
C
|
A:ASP64
|
4.5
|
34.7
|
1.0
|
OE2
|
A:GLU157
|
4.6
|
36.7
|
1.0
|
NBF
|
A:ZZX302
|
4.7
|
53.6
|
1.0
|
CAO
|
A:ZZX302
|
4.7
|
53.6
|
1.0
|
CBA
|
A:ZZX302
|
4.8
|
53.6
|
1.0
|
CB
|
A:PHE65
|
4.9
|
36.4
|
1.0
|
|
Magnesium binding site 3 out
of 4 in 7jn3
Go back to
Magnesium Binding Sites List in 7jn3
Magnesium binding site 3 out
of 4 in the Cryo-Em Structure of Rous Sarcoma Virus Cleaved Synaptic Complex (Csc) with Hiv-1 Integrase Strand Transfer Inhibitor Mk-2048
 Mono view
 Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of Cryo-Em Structure of Rous Sarcoma Virus Cleaved Synaptic Complex (Csc) with Hiv-1 Integrase Strand Transfer Inhibitor Mk-2048 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Mg303
b:58.8
occ:1.00
|
OD1
|
E:ASP64
|
2.1
|
50.6
|
1.0
|
OD1
|
E:ASP121
|
2.1
|
60.3
|
1.0
|
OD2
|
E:ASP121
|
2.4
|
60.3
|
1.0
|
CG
|
E:ASP121
|
2.5
|
60.3
|
1.0
|
OAE
|
E:ZZX302
|
2.7
|
69.2
|
1.0
|
CAS
|
E:ZZX302
|
3.1
|
69.2
|
1.0
|
MG
|
E:MG304
|
3.1
|
62.0
|
1.0
|
OAG
|
E:ZZX302
|
3.2
|
69.2
|
1.0
|
CG
|
E:ASP64
|
3.4
|
50.6
|
1.0
|
CAY
|
E:ZZX302
|
3.5
|
69.2
|
1.0
|
CAW
|
E:ZZX302
|
3.7
|
69.2
|
1.0
|
NBD
|
E:ZZX302
|
3.8
|
69.2
|
1.0
|
CB
|
E:ASP121
|
3.8
|
60.3
|
1.0
|
CA
|
E:ASP64
|
4.2
|
50.6
|
1.0
|
OD2
|
E:ASP64
|
4.2
|
50.6
|
1.0
|
CAM
|
E:ZZX302
|
4.2
|
69.2
|
1.0
|
CB
|
E:ASP64
|
4.3
|
50.6
|
1.0
|
N
|
E:PHE65
|
4.4
|
57.1
|
1.0
|
OE2
|
E:GLU157
|
4.5
|
52.5
|
1.0
|
NE2
|
E:GLN153
|
4.5
|
56.1
|
1.0
|
C
|
E:ASP64
|
4.7
|
50.6
|
1.0
|
CAO
|
E:ZZX302
|
4.8
|
69.2
|
1.0
|
NBF
|
E:ZZX302
|
4.8
|
69.2
|
1.0
|
CBA
|
E:ZZX302
|
4.8
|
69.2
|
1.0
|
O
|
E:THR63
|
5.0
|
46.4
|
1.0
|
CA
|
E:ASP121
|
5.0
|
60.3
|
1.0
|
|
Magnesium binding site 4 out
of 4 in 7jn3
Go back to
Magnesium Binding Sites List in 7jn3
Magnesium binding site 4 out
of 4 in the Cryo-Em Structure of Rous Sarcoma Virus Cleaved Synaptic Complex (Csc) with Hiv-1 Integrase Strand Transfer Inhibitor Mk-2048
 Mono view
 Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of Cryo-Em Structure of Rous Sarcoma Virus Cleaved Synaptic Complex (Csc) with Hiv-1 Integrase Strand Transfer Inhibitor Mk-2048 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Mg304
b:62.0
occ:1.00
|
OAG
|
E:ZZX302
|
2.0
|
69.2
|
1.0
|
OE2
|
E:GLU157
|
2.0
|
52.5
|
1.0
|
OD1
|
E:ASP64
|
2.1
|
50.6
|
1.0
|
OD2
|
E:ASP64
|
2.2
|
50.6
|
1.0
|
CG
|
E:ASP64
|
2.3
|
50.6
|
1.0
|
CD
|
E:GLU157
|
2.6
|
52.5
|
1.0
|
OE1
|
E:GLU157
|
2.6
|
52.5
|
1.0
|
OAF
|
E:ZZX302
|
2.8
|
69.2
|
1.0
|
CAW
|
E:ZZX302
|
2.8
|
69.2
|
1.0
|
MG
|
E:MG303
|
3.1
|
58.8
|
1.0
|
CBA
|
E:ZZX302
|
3.3
|
69.2
|
1.0
|
CAZ
|
E:ZZX302
|
3.4
|
69.2
|
1.0
|
CB
|
E:ASP64
|
3.6
|
50.6
|
1.0
|
CAY
|
E:ZZX302
|
3.7
|
69.2
|
1.0
|
OD1
|
E:ASP121
|
3.9
|
60.3
|
1.0
|
NE2
|
E:GLN153
|
4.0
|
56.1
|
1.0
|
CG
|
E:GLU157
|
4.1
|
52.5
|
1.0
|
CB
|
E:SER150
|
4.2
|
60.8
|
1.0
|
OAE
|
E:ZZX302
|
4.3
|
69.2
|
1.0
|
CAS
|
E:ZZX302
|
4.3
|
69.2
|
1.0
|
CBB
|
E:ZZX302
|
4.5
|
69.2
|
1.0
|
NBE
|
E:ZZX302
|
4.6
|
69.2
|
1.0
|
CA
|
E:ASP64
|
4.6
|
50.6
|
1.0
|
OG
|
E:SER150
|
4.6
|
60.8
|
1.0
|
NBF
|
E:ZZX302
|
4.6
|
69.2
|
1.0
|
CG
|
E:ASP121
|
4.7
|
60.3
|
1.0
|
CG
|
E:GLN153
|
4.8
|
56.1
|
1.0
|
CD
|
E:GLN153
|
4.9
|
56.1
|
1.0
|
N
|
E:PHE65
|
4.9
|
57.1
|
1.0
|
|
Reference:
K.K.Pandey,
S.Bera,
K.Shi,
H.Aihara,
D.P.Grandgenett,
M.J.Rau,
A.V.Oleru,
J.A.J.Fitzpatrick,
A.N.Engelman.
Cryo-Em Structure of Rous Sarcoma Virus Cleaved Synaptic Complex (Csc) with Hiv-1 Integrase Strand Transfer Inhibitor Mk-2048 Commun Biol 2021.
ISSN: ESSN 2399-3642
DOI: 10.1038/S42003-021-01855-2
Page generated: Wed Oct 2 21:56:34 2024
|