Magnesium in PDB 4l7w: Crystal Structure Mutant H77A of Human Hd Domain-Containing Protein 2, Genomics Consortium (Nesg) Target HR6723
Protein crystallography data
The structure of Crystal Structure Mutant H77A of Human Hd Domain-Containing Protein 2, Genomics Consortium (Nesg) Target HR6723, PDB code: 4l7w
was solved by
A.Kuzin,
M.Su,
A.Yakunin,
N.Beloglazova,
J.Seetharaman,
M.Maglaqui,
R.Xiao,
D.Lee,
G.Brown,
R.Flick,
J.K.Everett,
T.B.Acton,
G.T.Montelione,
J.F.Hunt,
L.Tong,
Northeast Structural Genomics Consortium (Nesg),
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
35.69 /
2.31
|
Space group
|
I 41 2 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
71.380,
71.380,
199.308,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
17.4 /
22.8
|
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Crystal Structure Mutant H77A of Human Hd Domain-Containing Protein 2, Genomics Consortium (Nesg) Target HR6723
(pdb code 4l7w). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 5 binding sites of Magnesium where determined in the
Crystal Structure Mutant H77A of Human Hd Domain-Containing Protein 2, Genomics Consortium (Nesg) Target HR6723, PDB code: 4l7w:
Jump to Magnesium binding site number:
1;
2;
3;
4;
5;
Magnesium binding site 1 out
of 5 in 4l7w
Go back to
Magnesium Binding Sites List in 4l7w
Magnesium binding site 1 out
of 5 in the Crystal Structure Mutant H77A of Human Hd Domain-Containing Protein 2, Genomics Consortium (Nesg) Target HR6723
 Mono view
 Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Crystal Structure Mutant H77A of Human Hd Domain-Containing Protein 2, Genomics Consortium (Nesg) Target HR6723 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg301
b:43.1
occ:1.00
|
OD1
|
A:ASP86
|
2.1
|
41.4
|
1.0
|
MG
|
A:MG304
|
2.1
|
53.9
|
1.0
|
OE2
|
A:GLU81
|
2.2
|
48.4
|
1.0
|
MG
|
A:MG303
|
2.3
|
55.1
|
1.0
|
MG
|
A:MG305
|
2.3
|
57.0
|
1.0
|
MG
|
A:MG302
|
2.3
|
58.6
|
1.0
|
CD
|
A:GLU81
|
3.1
|
46.3
|
1.0
|
CG
|
A:ASP86
|
3.1
|
41.4
|
1.0
|
OE1
|
A:GLU81
|
3.3
|
43.4
|
1.0
|
OD2
|
A:ASP86
|
3.8
|
44.9
|
1.0
|
O
|
A:ILE87
|
4.1
|
45.2
|
1.0
|
O
|
A:HOH421
|
4.1
|
47.0
|
1.0
|
CB
|
A:ASP86
|
4.1
|
35.1
|
1.0
|
O
|
A:HOH414
|
4.1
|
41.8
|
1.0
|
NH1
|
A:ARG32
|
4.1
|
41.1
|
1.0
|
OD2
|
A:ASP78
|
4.1
|
40.1
|
1.0
|
CA
|
A:ASP86
|
4.2
|
38.1
|
1.0
|
O
|
A:HOH433
|
4.2
|
58.5
|
1.0
|
OD1
|
A:ASP78
|
4.3
|
41.4
|
1.0
|
CG
|
A:ASP78
|
4.3
|
41.2
|
1.0
|
N
|
A:ILE87
|
4.4
|
44.5
|
1.0
|
CG
|
A:GLU81
|
4.4
|
41.3
|
1.0
|
C
|
A:ASP86
|
4.5
|
40.9
|
1.0
|
O
|
A:HOH411
|
4.8
|
42.4
|
1.0
|
C
|
A:ILE87
|
5.0
|
44.6
|
1.0
|
|
Magnesium binding site 2 out
of 5 in 4l7w
Go back to
Magnesium Binding Sites List in 4l7w
Magnesium binding site 2 out
of 5 in the Crystal Structure Mutant H77A of Human Hd Domain-Containing Protein 2, Genomics Consortium (Nesg) Target HR6723
 Mono view
 Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Crystal Structure Mutant H77A of Human Hd Domain-Containing Protein 2, Genomics Consortium (Nesg) Target HR6723 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg302
b:58.6
occ:1.00
|
MG
|
A:MG301
|
2.3
|
43.1
|
1.0
|
O
|
A:HOH433
|
2.7
|
58.5
|
1.0
|
MG
|
A:MG305
|
2.8
|
57.0
|
1.0
|
NH1
|
A:ARG32
|
3.1
|
41.1
|
1.0
|
OD1
|
A:ASP86
|
3.2
|
41.4
|
1.0
|
MG
|
A:MG304
|
3.3
|
53.9
|
1.0
|
MG
|
A:MG303
|
3.4
|
55.1
|
1.0
|
O
|
A:HOH411
|
3.8
|
42.4
|
1.0
|
O
|
A:HOH410
|
3.9
|
38.6
|
1.0
|
CG
|
A:ASP86
|
4.1
|
41.4
|
1.0
|
O
|
A:ILE87
|
4.2
|
45.2
|
1.0
|
OD2
|
A:ASP86
|
4.2
|
44.9
|
1.0
|
CZ
|
A:ARG32
|
4.4
|
37.8
|
1.0
|
OE2
|
A:GLU81
|
4.4
|
48.4
|
1.0
|
O
|
A:HOH438
|
4.5
|
59.9
|
1.0
|
OD2
|
A:ASP78
|
4.9
|
40.1
|
1.0
|
NH2
|
A:ARG32
|
5.0
|
35.0
|
1.0
|
|
Magnesium binding site 3 out
of 5 in 4l7w
Go back to
Magnesium Binding Sites List in 4l7w
Magnesium binding site 3 out
of 5 in the Crystal Structure Mutant H77A of Human Hd Domain-Containing Protein 2, Genomics Consortium (Nesg) Target HR6723
 Mono view
 Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of Crystal Structure Mutant H77A of Human Hd Domain-Containing Protein 2, Genomics Consortium (Nesg) Target HR6723 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg303
b:55.1
occ:1.00
|
MG
|
A:MG301
|
2.3
|
43.1
|
1.0
|
OE1
|
A:GLU81
|
2.5
|
43.4
|
1.0
|
OD2
|
A:ASP78
|
2.7
|
40.1
|
1.0
|
OE2
|
A:GLU81
|
2.9
|
48.4
|
1.0
|
MG
|
A:MG305
|
3.0
|
57.0
|
1.0
|
OD1
|
A:ASP86
|
3.0
|
41.4
|
1.0
|
CD
|
A:GLU81
|
3.0
|
46.3
|
1.0
|
NH1
|
A:ARG32
|
3.1
|
41.1
|
1.0
|
CG
|
A:ASP86
|
3.3
|
41.4
|
1.0
|
CG
|
A:ASP78
|
3.3
|
41.2
|
1.0
|
MG
|
A:MG302
|
3.4
|
58.6
|
1.0
|
OD2
|
A:ASP86
|
3.5
|
44.9
|
1.0
|
CD
|
A:ARG32
|
3.7
|
32.1
|
1.0
|
OD1
|
A:ASP78
|
3.9
|
41.4
|
1.0
|
CB
|
A:ASP78
|
4.1
|
43.8
|
1.0
|
CG1
|
A:VAL46
|
4.1
|
35.7
|
1.0
|
CZ
|
A:ARG32
|
4.1
|
37.8
|
1.0
|
CB
|
A:ASP86
|
4.2
|
35.1
|
1.0
|
CG2
|
A:VAL46
|
4.2
|
35.0
|
1.0
|
MG
|
A:MG304
|
4.3
|
53.9
|
1.0
|
NE
|
A:ARG32
|
4.4
|
34.9
|
1.0
|
CD2
|
A:HIS49
|
4.5
|
37.3
|
1.0
|
CG
|
A:GLU81
|
4.5
|
41.3
|
1.0
|
CB
|
A:VAL46
|
4.7
|
39.9
|
1.0
|
O
|
A:HOH433
|
4.8
|
58.5
|
1.0
|
CA
|
A:ASP86
|
4.9
|
38.1
|
1.0
|
O
|
A:HOH411
|
4.9
|
42.4
|
1.0
|
|
Magnesium binding site 4 out
of 5 in 4l7w
Go back to
Magnesium Binding Sites List in 4l7w
Magnesium binding site 4 out
of 5 in the Crystal Structure Mutant H77A of Human Hd Domain-Containing Protein 2, Genomics Consortium (Nesg) Target HR6723
 Mono view
 Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of Crystal Structure Mutant H77A of Human Hd Domain-Containing Protein 2, Genomics Consortium (Nesg) Target HR6723 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg304
b:53.9
occ:1.00
|
MG
|
A:MG301
|
2.1
|
43.1
|
1.0
|
O
|
A:ILE87
|
2.7
|
45.2
|
1.0
|
OE2
|
A:GLU81
|
3.0
|
48.4
|
1.0
|
OD1
|
A:ASP86
|
3.0
|
41.4
|
1.0
|
O
|
A:HOH414
|
3.1
|
41.8
|
1.0
|
MG
|
A:MG305
|
3.2
|
57.0
|
1.0
|
MG
|
A:MG302
|
3.3
|
58.6
|
1.0
|
N
|
A:ILE87
|
3.4
|
44.5
|
1.0
|
NZ
|
A:LYS98
|
3.6
|
56.2
|
1.0
|
CE
|
A:LYS98
|
3.6
|
60.9
|
1.0
|
O
|
A:HOH421
|
3.7
|
47.0
|
1.0
|
C
|
A:ILE87
|
3.7
|
44.6
|
1.0
|
CA
|
A:ILE87
|
4.0
|
47.3
|
1.0
|
CD
|
A:GLU81
|
4.0
|
46.3
|
1.0
|
C
|
A:ASP86
|
4.1
|
40.9
|
1.0
|
CG
|
A:ASP86
|
4.2
|
41.4
|
1.0
|
CB
|
A:ILE87
|
4.2
|
51.7
|
1.0
|
MG
|
A:MG303
|
4.3
|
55.1
|
1.0
|
CA
|
A:ASP86
|
4.4
|
38.1
|
1.0
|
OE1
|
A:GLU81
|
4.7
|
43.4
|
1.0
|
CG
|
A:GLU81
|
4.9
|
41.3
|
1.0
|
N
|
A:ALA88
|
4.9
|
42.5
|
1.0
|
CB
|
A:ASP86
|
4.9
|
35.1
|
1.0
|
O
|
A:HOH433
|
4.9
|
58.5
|
1.0
|
|
Magnesium binding site 5 out
of 5 in 4l7w
Go back to
Magnesium Binding Sites List in 4l7w
Magnesium binding site 5 out
of 5 in the Crystal Structure Mutant H77A of Human Hd Domain-Containing Protein 2, Genomics Consortium (Nesg) Target HR6723
 Mono view
 Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 5 of Crystal Structure Mutant H77A of Human Hd Domain-Containing Protein 2, Genomics Consortium (Nesg) Target HR6723 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg305
b:57.0
occ:1.00
|
MG
|
A:MG301
|
2.3
|
43.1
|
1.0
|
OD1
|
A:ASP78
|
2.7
|
41.4
|
1.0
|
MG
|
A:MG302
|
2.8
|
58.6
|
1.0
|
OE2
|
A:GLU81
|
3.0
|
48.4
|
1.0
|
O
|
A:HOH433
|
3.0
|
58.5
|
1.0
|
MG
|
A:MG303
|
3.0
|
55.1
|
1.0
|
OD2
|
A:ASP78
|
3.1
|
40.1
|
1.0
|
CG
|
A:ASP78
|
3.2
|
41.2
|
1.0
|
MG
|
A:MG304
|
3.2
|
53.9
|
1.0
|
O
|
A:HOH421
|
3.5
|
47.0
|
1.0
|
O
|
A:HOH425
|
3.8
|
49.6
|
1.0
|
CD
|
A:GLU81
|
4.0
|
46.3
|
1.0
|
OD1
|
A:ASP86
|
4.3
|
41.4
|
1.0
|
NH1
|
A:ARG32
|
4.3
|
41.1
|
1.0
|
OE1
|
A:GLU81
|
4.5
|
43.4
|
1.0
|
CB
|
A:ASP78
|
4.6
|
43.8
|
1.0
|
|
Reference:
A.Kuzin,
M.Su,
A.Yakunin,
N.Beloglazova,
J.Seetharaman,
M.Maglaqui,
R.Xiao,
D.Lee,
G.Brown,
R.Flick,
J.K.Everett,
T.B.Acton,
G.T.Montelione,
J.F.Hunt,
L.Tong,
Northeast Structural Genomics Consortium (Nesg).
Northeast Structural Genomics Consortium Target HR6723 To Be Published.
Page generated: Sat Aug 17 04:27:25 2024
|