Magnesium in PDB 7adt: Orf Virus Apoptosis Inhibitor ORFV125
Protein crystallography data
The structure of Orf Virus Apoptosis Inhibitor ORFV125, PDB code: 7adt
was solved by
C.D.Suraweera,
M.G.Hinds,
M.Kvansakul,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
34.34 /
2.21
|
Space group
|
I 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
69.511,
45.564,
105.965,
90,
106.06,
90
|
R / Rfree (%)
|
23.3 /
25.9
|
Magnesium Binding Sites:
Magnesium binding site 1 out
of 41 in 7adt
Go back to
Magnesium Binding Sites List in 7adt
Magnesium binding site 1 out
of 41 in the Orf Virus Apoptosis Inhibitor ORFV125
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Orf Virus Apoptosis Inhibitor ORFV125 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg207
b:50.9
occ:1.00
|
HA
|
A:ALA81
|
2.5
|
53.4
|
1.0
|
HB3
|
A:PRO123
|
3.1
|
42.2
|
1.0
|
HG1
|
A:THR83
|
3.2
|
86.0
|
1.0
|
HB
|
A:THR83
|
3.2
|
73.3
|
1.0
|
HB1
|
A:ALA81
|
3.3
|
45.6
|
1.0
|
CA
|
A:ALA81
|
3.4
|
44.5
|
1.0
|
N
|
A:THR83
|
3.5
|
49.9
|
1.0
|
HB2
|
A:ALA81
|
3.5
|
45.6
|
1.0
|
CB
|
A:ALA81
|
3.6
|
38.0
|
1.0
|
OG1
|
A:THR83
|
3.8
|
71.7
|
1.0
|
CB
|
A:THR83
|
3.8
|
61.1
|
1.0
|
CB
|
A:PRO123
|
3.9
|
35.2
|
1.0
|
HB2
|
A:PRO123
|
3.9
|
42.2
|
1.0
|
HG3
|
A:PRO123
|
4.1
|
43.3
|
1.0
|
C
|
A:ALA81
|
4.1
|
43.1
|
1.0
|
CA
|
A:THR83
|
4.2
|
50.2
|
1.0
|
O
|
A:THR83
|
4.4
|
45.1
|
1.0
|
N
|
A:ALA81
|
4.4
|
43.1
|
1.0
|
CG
|
A:PRO123
|
4.6
|
36.1
|
1.0
|
HB3
|
A:ALA81
|
4.6
|
45.6
|
1.0
|
C
|
A:THR83
|
4.7
|
42.9
|
1.0
|
H
|
A:ALA81
|
4.8
|
51.8
|
1.0
|
O
|
A:GLU80
|
4.9
|
39.7
|
1.0
|
O
|
A:HOH304
|
5.0
|
52.0
|
1.0
|
MG
|
A:MG214
|
5.0
|
63.4
|
1.0
|
|
Magnesium binding site 2 out
of 41 in 7adt
Go back to
Magnesium Binding Sites List in 7adt
Magnesium binding site 2 out
of 41 in the Orf Virus Apoptosis Inhibitor ORFV125
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Orf Virus Apoptosis Inhibitor ORFV125 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg208
b:70.8
occ:1.00
|
HG2
|
A:ARG113
|
2.4
|
96.8
|
1.0
|
HH11
|
A:ARG113
|
2.8
|
120.8
|
1.0
|
HB2
|
A:ARG113
|
2.9
|
86.6
|
1.0
|
CG
|
A:ARG113
|
3.2
|
80.7
|
1.0
|
CB
|
A:ARG113
|
3.4
|
72.1
|
1.0
|
HB3
|
A:ARG113
|
3.4
|
86.6
|
1.0
|
HD3
|
A:ARG113
|
3.4
|
103.3
|
1.0
|
NH1
|
A:ARG113
|
3.5
|
100.7
|
1.0
|
HG12
|
A:VAL109
|
3.6
|
108.9
|
1.0
|
CD
|
A:ARG113
|
3.8
|
86.1
|
1.0
|
HH12
|
A:ARG113
|
3.9
|
120.8
|
1.0
|
HG3
|
A:ARG113
|
4.0
|
96.8
|
1.0
|
HA
|
A:ASP110
|
4.2
|
97.0
|
1.0
|
CZ
|
A:ARG113
|
4.4
|
97.3
|
1.0
|
CG1
|
A:VAL109
|
4.4
|
90.8
|
1.0
|
NE
|
A:ARG113
|
4.5
|
90.7
|
1.0
|
HG11
|
A:VAL109
|
4.5
|
108.9
|
1.0
|
O
|
A:VAL109
|
4.6
|
86.5
|
1.0
|
HD2
|
A:ARG113
|
4.6
|
103.3
|
1.0
|
HG13
|
A:VAL109
|
4.8
|
108.9
|
1.0
|
CA
|
A:ARG113
|
4.8
|
63.0
|
1.0
|
HG
|
A:SER68
|
4.9
|
117.0
|
1.0
|
|
Magnesium binding site 3 out
of 41 in 7adt
Go back to
Magnesium Binding Sites List in 7adt
Magnesium binding site 3 out
of 41 in the Orf Virus Apoptosis Inhibitor ORFV125
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of Orf Virus Apoptosis Inhibitor ORFV125 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg209
b:63.8
occ:1.00
|
HB3
|
A:ALA126
|
3.5
|
35.3
|
1.0
|
O
|
A:PRO123
|
4.0
|
51.3
|
1.0
|
HB2
|
A:LEU122
|
4.1
|
55.8
|
1.0
|
HD12
|
A:LEU122
|
4.2
|
58.2
|
1.0
|
HA
|
A:PRO124
|
4.3
|
66.9
|
1.0
|
HB3
|
A:LEU122
|
4.3
|
55.8
|
1.0
|
CB
|
A:ALA126
|
4.4
|
29.4
|
1.0
|
O
|
A:PRO124
|
4.5
|
64.5
|
1.0
|
OD1
|
A:ASP127
|
4.5
|
40.8
|
1.0
|
H
|
A:ALA126
|
4.5
|
50.7
|
1.0
|
HB2
|
A:ALA126
|
4.5
|
35.3
|
1.0
|
OD2
|
A:ASP127
|
4.6
|
49.2
|
1.0
|
HD13
|
A:LEU122
|
4.6
|
58.2
|
1.0
|
CB
|
A:LEU122
|
4.7
|
46.5
|
1.0
|
H
|
A:ASP127
|
4.7
|
54.6
|
1.0
|
HB3
|
B:SER10
|
4.7
|
52.7
|
1.0
|
CG
|
A:ASP127
|
4.8
|
43.3
|
1.0
|
CD1
|
A:LEU122
|
4.9
|
48.5
|
1.0
|
HB1
|
A:ALA126
|
4.9
|
35.3
|
1.0
|
C
|
A:PRO124
|
5.0
|
59.7
|
1.0
|
|
Magnesium binding site 4 out
of 41 in 7adt
Go back to
Magnesium Binding Sites List in 7adt
Magnesium binding site 4 out
of 41 in the Orf Virus Apoptosis Inhibitor ORFV125
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of Orf Virus Apoptosis Inhibitor ORFV125 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg210
b:84.1
occ:1.00
|
HA3
|
A:GLY131
|
1.7
|
65.3
|
1.0
|
CA
|
A:GLY131
|
2.6
|
54.4
|
1.0
|
HG12
|
B:ILE7
|
2.6
|
83.4
|
1.0
|
HA2
|
A:GLY131
|
2.9
|
65.3
|
1.0
|
H
|
B:ILE7
|
2.9
|
99.8
|
1.0
|
OD1
|
B:ASP6
|
2.9
|
86.9
|
1.0
|
C
|
A:GLY131
|
3.3
|
56.7
|
1.0
|
H
|
A:GLY131
|
3.6
|
63.1
|
1.0
|
N
|
B:ILE7
|
3.6
|
83.2
|
1.0
|
CG1
|
B:ILE7
|
3.6
|
69.5
|
1.0
|
N
|
A:GLY131
|
3.6
|
52.6
|
1.0
|
CA
|
B:ASP6
|
3.6
|
93.9
|
1.0
|
O
|
A:ASP127
|
3.7
|
49.8
|
1.0
|
HA
|
A:GLU128
|
3.7
|
62.4
|
1.0
|
HG23
|
B:ILE7
|
3.7
|
78.9
|
1.0
|
HE21
|
A:GLN135
|
3.8
|
104.5
|
1.0
|
CG
|
B:ASP6
|
3.8
|
87.8
|
1.0
|
HE22
|
A:GLN135
|
3.8
|
104.5
|
1.0
|
HG13
|
B:ILE7
|
3.9
|
83.4
|
1.0
|
O
|
A:GLY131
|
3.9
|
56.3
|
1.0
|
CB
|
B:ASP6
|
4.0
|
88.7
|
1.0
|
N
|
A:ALA132
|
4.0
|
55.7
|
1.0
|
NE2
|
A:GLN135
|
4.0
|
87.1
|
1.0
|
H
|
A:ALA132
|
4.1
|
66.8
|
1.0
|
C
|
B:ASP6
|
4.1
|
90.6
|
1.0
|
HD11
|
B:ILE7
|
4.2
|
84.2
|
1.0
|
CD1
|
B:ILE7
|
4.4
|
70.2
|
1.0
|
CB
|
B:ILE7
|
4.4
|
67.1
|
1.0
|
HD13
|
B:ILE7
|
4.4
|
84.2
|
1.0
|
CG2
|
B:ILE7
|
4.5
|
65.7
|
1.0
|
CA
|
B:ILE7
|
4.6
|
72.2
|
1.0
|
O
|
B:ASP5
|
4.6
|
104.6
|
1.0
|
O
|
A:GLU128
|
4.6
|
59.2
|
1.0
|
CA
|
A:GLU128
|
4.6
|
52.0
|
1.0
|
C
|
A:ASP127
|
4.7
|
47.6
|
1.0
|
HG21
|
B:ILE7
|
4.7
|
78.9
|
1.0
|
N
|
B:ASP6
|
4.8
|
101.5
|
1.0
|
C
|
A:LEU130
|
4.9
|
50.8
|
1.0
|
OD2
|
B:ASP6
|
4.9
|
88.0
|
1.0
|
C
|
A:GLU128
|
5.0
|
54.9
|
1.0
|
|
Magnesium binding site 5 out
of 41 in 7adt
Go back to
Magnesium Binding Sites List in 7adt
Magnesium binding site 5 out
of 41 in the Orf Virus Apoptosis Inhibitor ORFV125
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 5 of Orf Virus Apoptosis Inhibitor ORFV125 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg211
b:70.0
occ:1.00
|
HG3
|
A:ARG41
|
2.6
|
78.9
|
1.0
|
HB2
|
A:ARG41
|
3.1
|
64.3
|
1.0
|
CG
|
A:ARG41
|
3.4
|
65.7
|
1.0
|
HG
|
A:LEU37
|
3.6
|
48.8
|
1.0
|
HD1
|
B:TYR16
|
3.6
|
48.9
|
1.0
|
HD11
|
A:LEU37
|
3.7
|
45.7
|
1.0
|
CB
|
A:ARG41
|
3.7
|
53.6
|
1.0
|
HG2
|
A:ARG41
|
3.9
|
78.9
|
1.0
|
HE
|
A:ARG41
|
3.9
|
103.8
|
1.0
|
HB3
|
A:ARG41
|
4.1
|
64.3
|
1.0
|
CD1
|
A:LEU37
|
4.3
|
38.1
|
1.0
|
HD12
|
A:LEU37
|
4.3
|
45.7
|
1.0
|
HA
|
A:GLU38
|
4.3
|
65.2
|
1.0
|
HD21
|
A:LEU37
|
4.3
|
47.5
|
1.0
|
CG
|
A:LEU37
|
4.3
|
40.6
|
1.0
|
O
|
A:LEU37
|
4.4
|
44.0
|
1.0
|
CD1
|
B:TYR16
|
4.5
|
40.7
|
1.0
|
HE1
|
B:TYR16
|
4.5
|
50.5
|
1.0
|
CD
|
A:ARG41
|
4.5
|
77.9
|
1.0
|
NE
|
A:ARG41
|
4.5
|
86.5
|
1.0
|
HA
|
B:TYR16
|
4.7
|
50.2
|
1.0
|
HD3
|
A:ARG41
|
4.8
|
93.5
|
1.0
|
CD2
|
A:LEU37
|
4.8
|
39.5
|
1.0
|
OE2
|
B:GLU20
|
4.9
|
56.2
|
1.0
|
CE1
|
B:TYR16
|
4.9
|
42.1
|
1.0
|
HG2
|
B:ARG19
|
4.9
|
57.9
|
1.0
|
CA
|
A:ARG41
|
5.0
|
45.2
|
1.0
|
|
Magnesium binding site 6 out
of 41 in 7adt
Go back to
Magnesium Binding Sites List in 7adt
Magnesium binding site 6 out
of 41 in the Orf Virus Apoptosis Inhibitor ORFV125
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 6 of Orf Virus Apoptosis Inhibitor ORFV125 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg212
b:69.2
occ:1.00
|
HH12
|
A:ARG48
|
2.5
|
106.4
|
1.0
|
OH
|
B:TYR16
|
2.8
|
45.0
|
1.0
|
O
|
A:ARG41
|
2.9
|
47.5
|
1.0
|
HB2
|
A:GLU45
|
2.9
|
78.8
|
1.0
|
HG2
|
A:ARG41
|
3.0
|
78.9
|
1.0
|
HH22
|
A:ARG48
|
3.1
|
113.4
|
1.0
|
HE1
|
B:TYR16
|
3.2
|
50.5
|
1.0
|
HH
|
B:TYR16
|
3.3
|
54.0
|
1.0
|
NH1
|
A:ARG48
|
3.4
|
88.7
|
1.0
|
HD2
|
A:ARG41
|
3.4
|
93.5
|
1.0
|
HA
|
A:ARG41
|
3.5
|
54.3
|
1.0
|
H
|
A:GLU45
|
3.5
|
54.7
|
1.0
|
HD3
|
A:ARG41
|
3.5
|
93.5
|
1.0
|
N
|
A:GLU45
|
3.6
|
45.6
|
1.0
|
HA
|
A:GLU45
|
3.6
|
67.5
|
1.0
|
CZ
|
B:TYR16
|
3.7
|
41.5
|
1.0
|
CD
|
A:ARG41
|
3.8
|
77.9
|
1.0
|
CE1
|
B:TYR16
|
3.8
|
42.1
|
1.0
|
CG
|
A:ARG41
|
3.8
|
65.7
|
1.0
|
CB
|
A:GLU45
|
3.8
|
65.7
|
1.0
|
NH2
|
A:ARG48
|
3.8
|
94.5
|
1.0
|
C
|
A:ARG41
|
3.8
|
47.8
|
1.0
|
CA
|
A:GLU45
|
3.9
|
56.2
|
1.0
|
HH11
|
A:ARG48
|
3.9
|
106.4
|
1.0
|
CZ
|
A:ARG48
|
4.0
|
89.2
|
1.0
|
CA
|
A:ARG41
|
4.1
|
45.2
|
1.0
|
C
|
A:GLY44
|
4.1
|
43.1
|
1.0
|
HA3
|
A:GLY44
|
4.1
|
51.1
|
1.0
|
HH22
|
A:ARG100
|
4.2
|
93.3
|
1.0
|
OE1
|
A:GLU93
|
4.3
|
41.8
|
1.0
|
HB3
|
A:GLU45
|
4.4
|
78.8
|
1.0
|
HG3
|
A:GLU45
|
4.4
|
94.5
|
1.0
|
HG3
|
A:ARG41
|
4.5
|
78.9
|
1.0
|
CB
|
A:ARG41
|
4.5
|
53.6
|
1.0
|
HH21
|
A:ARG48
|
4.5
|
113.4
|
1.0
|
OE2
|
A:GLU93
|
4.5
|
44.6
|
1.0
|
CA
|
A:GLY44
|
4.6
|
42.6
|
1.0
|
CG
|
A:GLU45
|
4.6
|
78.8
|
1.0
|
O
|
A:GLY44
|
4.7
|
39.9
|
1.0
|
HH11
|
A:ARG41
|
4.8
|
116.4
|
1.0
|
CD
|
A:GLU93
|
4.8
|
41.9
|
1.0
|
OE2
|
B:GLU20
|
4.8
|
56.2
|
1.0
|
H
|
A:GLY44
|
4.9
|
53.2
|
1.0
|
CD
|
B:GLU20
|
4.9
|
52.5
|
1.0
|
NH2
|
A:ARG100
|
4.9
|
77.7
|
1.0
|
OE1
|
B:GLU20
|
5.0
|
56.8
|
1.0
|
CE2
|
B:TYR16
|
5.0
|
38.0
|
1.0
|
|
Magnesium binding site 7 out
of 41 in 7adt
Go back to
Magnesium Binding Sites List in 7adt
Magnesium binding site 7 out
of 41 in the Orf Virus Apoptosis Inhibitor ORFV125
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 7 of Orf Virus Apoptosis Inhibitor ORFV125 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg213
b:99.1
occ:1.00
|
ND1
|
A:HIS69
|
4.1
|
104.4
|
1.0
|
CG
|
A:HIS69
|
4.1
|
102.3
|
1.0
|
CD2
|
A:HIS69
|
4.2
|
103.2
|
1.0
|
CE1
|
A:HIS69
|
4.2
|
105.2
|
1.0
|
NE2
|
A:HIS69
|
4.3
|
103.8
|
1.0
|
HB3
|
A:HIS69
|
4.4
|
116.5
|
1.0
|
HB2
|
A:HIS69
|
4.5
|
116.5
|
1.0
|
HE1
|
A:HIS69
|
4.6
|
126.2
|
1.0
|
HD2
|
A:HIS69
|
4.6
|
123.8
|
1.0
|
CB
|
A:HIS69
|
4.6
|
97.1
|
1.0
|
HE2
|
A:HIS69
|
4.7
|
124.6
|
1.0
|
|
Magnesium binding site 8 out
of 41 in 7adt
Go back to
Magnesium Binding Sites List in 7adt
Magnesium binding site 8 out
of 41 in the Orf Virus Apoptosis Inhibitor ORFV125
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 8 of Orf Virus Apoptosis Inhibitor ORFV125 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg214
b:63.4
occ:1.00
|
C
|
A:ALA81
|
2.6
|
43.1
|
1.0
|
O
|
A:ALA81
|
2.8
|
47.0
|
1.0
|
N
|
A:THR83
|
3.7
|
49.9
|
1.0
|
CA
|
A:ALA81
|
3.9
|
44.5
|
1.0
|
HA
|
A:ALA81
|
4.0
|
53.4
|
1.0
|
HB1
|
A:ALA81
|
4.2
|
45.6
|
1.0
|
CB
|
A:ALA81
|
4.5
|
38.0
|
1.0
|
O
|
A:GLU80
|
4.6
|
39.7
|
1.0
|
HB3
|
A:ALA81
|
4.8
|
45.6
|
1.0
|
MG
|
A:MG207
|
5.0
|
50.9
|
1.0
|
N
|
A:ALA81
|
5.0
|
43.1
|
1.0
|
|
Magnesium binding site 9 out
of 41 in 7adt
Go back to
Magnesium Binding Sites List in 7adt
Magnesium binding site 9 out
of 41 in the Orf Virus Apoptosis Inhibitor ORFV125
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 9 of Orf Virus Apoptosis Inhibitor ORFV125 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg215
b:81.9
occ:1.00
|
OD1
|
A:ASP6
|
2.9
|
118.2
|
1.0
|
MG
|
A:MG216
|
3.5
|
93.2
|
1.0
|
HB3
|
A:ASP5
|
4.0
|
149.1
|
1.0
|
CG
|
A:ASP6
|
4.1
|
113.4
|
1.0
|
HA
|
A:ASP6
|
4.2
|
120.6
|
1.0
|
O
|
A:ASP5
|
4.4
|
123.0
|
1.0
|
C
|
A:ASP5
|
4.5
|
118.7
|
1.0
|
HH12
|
B:ARG32
|
4.7
|
119.2
|
1.0
|
OD2
|
A:ASP6
|
4.7
|
117.2
|
1.0
|
N
|
A:ASP6
|
4.8
|
109.7
|
1.0
|
MG
|
A:MG224
|
4.8
|
126.2
|
1.0
|
CB
|
A:ASP5
|
4.9
|
124.2
|
1.0
|
CA
|
A:ASP6
|
4.9
|
100.5
|
1.0
|
HH22
|
B:ARG32
|
5.0
|
122.2
|
1.0
|
|
Magnesium binding site 10 out
of 41 in 7adt
Go back to
Magnesium Binding Sites List in 7adt
Magnesium binding site 10 out
of 41 in the Orf Virus Apoptosis Inhibitor ORFV125
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 10 of Orf Virus Apoptosis Inhibitor ORFV125 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg216
b:93.2
occ:1.00
|
O
|
A:ASP5
|
3.0
|
123.0
|
1.0
|
MG
|
A:MG215
|
3.5
|
81.9
|
1.0
|
HA
|
A:ASP6
|
3.5
|
120.6
|
1.0
|
C
|
A:ASP5
|
4.1
|
118.7
|
1.0
|
HH12
|
B:ARG32
|
4.1
|
119.2
|
1.0
|
HB3
|
A:ASP5
|
4.3
|
149.1
|
1.0
|
HH11
|
B:ARG32
|
4.4
|
119.2
|
1.0
|
CA
|
A:ASP6
|
4.4
|
100.5
|
1.0
|
OD1
|
A:ASP6
|
4.5
|
118.2
|
1.0
|
NH1
|
B:ARG32
|
4.5
|
99.3
|
1.0
|
CG
|
A:ASP5
|
4.7
|
126.5
|
1.0
|
N
|
A:ASP6
|
4.7
|
109.7
|
1.0
|
MG
|
A:MG224
|
4.7
|
126.2
|
1.0
|
OD2
|
A:ASP5
|
4.8
|
127.5
|
1.0
|
CB
|
A:ASP5
|
4.8
|
124.2
|
1.0
|
OD1
|
A:ASP5
|
4.9
|
125.4
|
1.0
|
|
Reference:
C.D.Suraweera,
M.G.Hinds,
M.Kvansakul.
Orf Virus Apoptosis Inhibitor ORFV125 To Be Published.
Page generated: Wed Oct 2 09:37:42 2024
|