Magnesium in PDB 4qhz: Crystal Structure of A Putative Glycosyl Hydrolase (BDI_3914) From Parabacteroides Distasonis Atcc 8503 at 2.13 A Resolution
Protein crystallography data
The structure of Crystal Structure of A Putative Glycosyl Hydrolase (BDI_3914) From Parabacteroides Distasonis Atcc 8503 at 2.13 A Resolution, PDB code: 4qhz
was solved by
Joint Center For Structural Genomics (Jcsg),
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
48.25 /
2.13
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
47.774,
144.763,
82.452,
90.00,
101.27,
90.00
|
R / Rfree (%)
|
17.1 /
20.3
|
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Crystal Structure of A Putative Glycosyl Hydrolase (BDI_3914) From Parabacteroides Distasonis Atcc 8503 at 2.13 A Resolution
(pdb code 4qhz). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the
Crystal Structure of A Putative Glycosyl Hydrolase (BDI_3914) From Parabacteroides Distasonis Atcc 8503 at 2.13 A Resolution, PDB code: 4qhz:
Jump to Magnesium binding site number:
1;
2;
3;
4;
Magnesium binding site 1 out
of 4 in 4qhz
Go back to
Magnesium Binding Sites List in 4qhz
Magnesium binding site 1 out
of 4 in the Crystal Structure of A Putative Glycosyl Hydrolase (BDI_3914) From Parabacteroides Distasonis Atcc 8503 at 2.13 A Resolution
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Crystal Structure of A Putative Glycosyl Hydrolase (BDI_3914) From Parabacteroides Distasonis Atcc 8503 at 2.13 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg302
b:17.7
occ:1.00
|
O
|
A:HOH401
|
2.0
|
17.3
|
1.0
|
O
|
A:SER138
|
2.1
|
20.7
|
1.0
|
OE2
|
A:GLU147
|
2.1
|
19.5
|
1.0
|
OE1
|
A:GLN246
|
2.1
|
21.1
|
1.0
|
OD1
|
A:ASN137
|
2.2
|
18.4
|
1.0
|
OE1
|
A:GLN149
|
2.2
|
21.2
|
1.0
|
C
|
A:SER138
|
3.1
|
19.9
|
1.0
|
CD
|
A:GLN246
|
3.1
|
22.5
|
1.0
|
CD
|
A:GLU147
|
3.2
|
21.3
|
1.0
|
CD
|
A:GLN149
|
3.3
|
20.8
|
1.0
|
CG
|
A:ASN137
|
3.3
|
19.7
|
1.0
|
NE2
|
A:GLN246
|
3.6
|
23.6
|
1.0
|
OE1
|
A:GLU147
|
3.7
|
23.0
|
1.0
|
NE2
|
A:GLN149
|
3.7
|
21.9
|
1.0
|
ND2
|
A:ASN137
|
3.9
|
21.8
|
1.0
|
N
|
A:SER138
|
3.9
|
22.3
|
1.0
|
CA
|
A:SER138
|
3.9
|
21.7
|
1.0
|
N
|
A:GLY139
|
4.0
|
18.9
|
1.0
|
O
|
A:VAL150
|
4.1
|
21.6
|
1.0
|
CA
|
A:GLY139
|
4.1
|
21.6
|
1.0
|
O
|
A:HOH459
|
4.2
|
23.7
|
1.0
|
CG
|
A:GLU147
|
4.4
|
22.2
|
1.0
|
N
|
A:VAL150
|
4.4
|
20.7
|
1.0
|
C
|
A:ASN137
|
4.4
|
21.8
|
1.0
|
CG
|
A:GLN246
|
4.4
|
22.3
|
1.0
|
CG
|
A:GLN149
|
4.6
|
21.3
|
1.0
|
CB
|
A:ASN137
|
4.6
|
20.2
|
1.0
|
CA
|
A:GLN149
|
4.7
|
19.4
|
1.0
|
CB
|
A:GLN246
|
4.7
|
22.4
|
1.0
|
CA
|
A:ASN137
|
4.8
|
20.3
|
1.0
|
CD2
|
A:HIS248
|
4.8
|
28.2
|
1.0
|
|
Magnesium binding site 2 out
of 4 in 4qhz
Go back to
Magnesium Binding Sites List in 4qhz
Magnesium binding site 2 out
of 4 in the Crystal Structure of A Putative Glycosyl Hydrolase (BDI_3914) From Parabacteroides Distasonis Atcc 8503 at 2.13 A Resolution
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Crystal Structure of A Putative Glycosyl Hydrolase (BDI_3914) From Parabacteroides Distasonis Atcc 8503 at 2.13 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg301
b:19.9
occ:1.00
|
O
|
B:HOH401
|
2.0
|
20.2
|
1.0
|
OD1
|
B:ASN137
|
2.0
|
22.9
|
1.0
|
O
|
B:SER138
|
2.1
|
20.8
|
1.0
|
OE1
|
B:GLN149
|
2.1
|
20.8
|
1.0
|
OE1
|
B:GLN246
|
2.2
|
23.4
|
1.0
|
OE2
|
B:GLU147
|
2.2
|
21.2
|
1.0
|
C
|
B:SER138
|
3.1
|
21.9
|
1.0
|
CD
|
B:GLN149
|
3.2
|
21.6
|
1.0
|
CG
|
B:ASN137
|
3.2
|
22.8
|
1.0
|
CD
|
B:GLN246
|
3.2
|
22.9
|
1.0
|
CD
|
B:GLU147
|
3.3
|
20.6
|
1.0
|
NE2
|
B:GLN149
|
3.6
|
20.8
|
1.0
|
NE2
|
B:GLN246
|
3.7
|
22.5
|
1.0
|
ND2
|
B:ASN137
|
3.7
|
22.8
|
1.0
|
OE1
|
B:GLU147
|
3.8
|
21.9
|
1.0
|
N
|
B:SER138
|
3.9
|
23.7
|
1.0
|
CA
|
B:SER138
|
3.9
|
22.5
|
1.0
|
O
|
B:VAL150
|
4.0
|
20.1
|
1.0
|
N
|
B:GLY139
|
4.0
|
21.9
|
1.0
|
CA
|
B:GLY139
|
4.2
|
21.1
|
1.0
|
O
|
B:HOH501
|
4.2
|
21.0
|
1.0
|
N
|
B:VAL150
|
4.4
|
17.3
|
1.0
|
C
|
B:ASN137
|
4.4
|
22.4
|
1.0
|
CB
|
B:ASN137
|
4.5
|
21.8
|
1.0
|
CG
|
B:GLN149
|
4.5
|
20.2
|
1.0
|
CG
|
B:GLU147
|
4.5
|
20.1
|
1.0
|
CG
|
B:GLN246
|
4.6
|
22.2
|
1.0
|
CA
|
B:ASN137
|
4.7
|
22.4
|
1.0
|
CA
|
B:GLN149
|
4.7
|
17.3
|
1.0
|
CD2
|
B:HIS248
|
4.8
|
32.5
|
1.0
|
CB
|
B:GLN246
|
4.8
|
22.1
|
1.0
|
C
|
B:VAL150
|
4.9
|
18.8
|
1.0
|
CB
|
B:GLN149
|
4.9
|
18.3
|
1.0
|
|
Magnesium binding site 3 out
of 4 in 4qhz
Go back to
Magnesium Binding Sites List in 4qhz
Magnesium binding site 3 out
of 4 in the Crystal Structure of A Putative Glycosyl Hydrolase (BDI_3914) From Parabacteroides Distasonis Atcc 8503 at 2.13 A Resolution
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of Crystal Structure of A Putative Glycosyl Hydrolase (BDI_3914) From Parabacteroides Distasonis Atcc 8503 at 2.13 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg302
b:15.7
occ:1.00
|
O
|
C:HOH401
|
2.0
|
21.3
|
1.0
|
OD1
|
C:ASN137
|
2.1
|
23.0
|
1.0
|
OE1
|
C:GLN149
|
2.1
|
23.6
|
1.0
|
OE1
|
C:GLN246
|
2.1
|
21.1
|
1.0
|
O
|
C:SER138
|
2.2
|
22.9
|
1.0
|
OE2
|
C:GLU147
|
2.2
|
23.4
|
1.0
|
CD
|
C:GLN246
|
3.2
|
23.9
|
1.0
|
CG
|
C:ASN137
|
3.2
|
22.7
|
1.0
|
CD
|
C:GLN149
|
3.2
|
25.4
|
1.0
|
C
|
C:SER138
|
3.2
|
22.0
|
1.0
|
CD
|
C:GLU147
|
3.3
|
25.3
|
1.0
|
NE2
|
C:GLN246
|
3.6
|
26.7
|
1.0
|
NE2
|
C:GLN149
|
3.6
|
24.1
|
1.0
|
ND2
|
C:ASN137
|
3.7
|
23.2
|
1.0
|
OE1
|
C:GLU147
|
3.7
|
23.9
|
1.0
|
N
|
C:SER138
|
4.0
|
22.5
|
1.0
|
CA
|
C:SER138
|
4.0
|
21.2
|
1.0
|
O
|
C:VAL150
|
4.1
|
23.0
|
1.0
|
N
|
C:GLY139
|
4.1
|
23.3
|
1.0
|
CA
|
C:GLY139
|
4.3
|
23.3
|
1.0
|
O
|
C:HOH489
|
4.3
|
31.6
|
1.0
|
O
|
C:HOH422
|
4.4
|
18.7
|
1.0
|
C
|
C:ASN137
|
4.5
|
22.0
|
1.0
|
CB
|
C:ASN137
|
4.5
|
22.1
|
1.0
|
CG
|
C:GLN246
|
4.5
|
24.0
|
1.0
|
N
|
C:VAL150
|
4.5
|
20.6
|
1.0
|
CG
|
C:GLN149
|
4.5
|
22.9
|
1.0
|
CG
|
C:GLU147
|
4.6
|
23.5
|
1.0
|
CD2
|
C:HIS248
|
4.7
|
27.5
|
1.0
|
CA
|
C:ASN137
|
4.8
|
20.3
|
1.0
|
CA
|
C:GLN149
|
4.8
|
21.5
|
1.0
|
CB
|
C:GLN246
|
4.8
|
24.0
|
1.0
|
|
Magnesium binding site 4 out
of 4 in 4qhz
Go back to
Magnesium Binding Sites List in 4qhz
Magnesium binding site 4 out
of 4 in the Crystal Structure of A Putative Glycosyl Hydrolase (BDI_3914) From Parabacteroides Distasonis Atcc 8503 at 2.13 A Resolution
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of Crystal Structure of A Putative Glycosyl Hydrolase (BDI_3914) From Parabacteroides Distasonis Atcc 8503 at 2.13 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg302
b:20.8
occ:1.00
|
O
|
D:HOH401
|
2.0
|
27.5
|
1.0
|
OE1
|
D:GLN246
|
2.1
|
26.1
|
1.0
|
OE2
|
D:GLU147
|
2.1
|
27.9
|
1.0
|
OD1
|
D:ASN137
|
2.2
|
23.8
|
1.0
|
OE1
|
D:GLN149
|
2.2
|
25.1
|
1.0
|
O
|
D:SER138
|
2.3
|
28.2
|
1.0
|
CD
|
D:GLN246
|
3.1
|
27.4
|
1.0
|
CD
|
D:GLN149
|
3.2
|
25.4
|
1.0
|
CD
|
D:GLU147
|
3.2
|
25.4
|
1.0
|
CG
|
D:ASN137
|
3.3
|
26.6
|
1.0
|
C
|
D:SER138
|
3.3
|
27.4
|
1.0
|
NE2
|
D:GLN246
|
3.5
|
28.0
|
1.0
|
NE2
|
D:GLN149
|
3.6
|
26.3
|
1.0
|
OE1
|
D:GLU147
|
3.7
|
25.2
|
1.0
|
ND2
|
D:ASN137
|
3.8
|
26.7
|
1.0
|
N
|
D:SER138
|
4.1
|
26.1
|
1.0
|
CA
|
D:SER138
|
4.1
|
26.4
|
1.0
|
O
|
D:HOH447
|
4.1
|
18.1
|
1.0
|
N
|
D:GLY139
|
4.2
|
26.5
|
1.0
|
O
|
D:VAL150
|
4.2
|
25.4
|
1.0
|
CA
|
D:GLY139
|
4.3
|
25.5
|
1.0
|
CG
|
D:GLN246
|
4.5
|
28.0
|
1.0
|
CG
|
D:GLU147
|
4.5
|
24.3
|
1.0
|
CG
|
D:GLN149
|
4.6
|
24.4
|
1.0
|
C
|
D:ASN137
|
4.6
|
27.2
|
1.0
|
N
|
D:VAL150
|
4.6
|
22.8
|
1.0
|
CB
|
D:ASN137
|
4.6
|
27.1
|
1.0
|
CD2
|
D:HIS248
|
4.7
|
31.8
|
1.0
|
CA
|
D:GLN149
|
4.8
|
22.2
|
1.0
|
CB
|
D:GLN246
|
4.8
|
28.4
|
1.0
|
CA
|
D:ASN137
|
4.9
|
27.0
|
1.0
|
|
Reference:
Joint Center For Structural Genomics (Jcsg),
Joint Center For Structural Genomics (Jcsg).
N/A N/A.
Page generated: Tue Aug 20 01:59:23 2024
|