Potassium in PDB 4udj: Crystal Structure of B-1,4-Mannopyranosyl-Chitobiose Phosphorylase at 1.60 Angstrom in Complex with Beta-D- Mannopyranose and Inorganic Phosphate
Protein crystallography data
The structure of Crystal Structure of B-1,4-Mannopyranosyl-Chitobiose Phosphorylase at 1.60 Angstrom in Complex with Beta-D- Mannopyranose and Inorganic Phosphate, PDB code: 4udj
was solved by
S.Ladeveze,
G.Cioci,
G.Potocki-Veronese,
S.Tranier,
L.Mourey,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
108.13 /
1.94
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
83.880,
140.840,
168.750,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
14.955 /
19.333
|
Potassium Binding Sites:
The binding sites of Potassium atom in the Crystal Structure of B-1,4-Mannopyranosyl-Chitobiose Phosphorylase at 1.60 Angstrom in Complex with Beta-D- Mannopyranose and Inorganic Phosphate
(pdb code 4udj). This binding sites where shown within
5.0 Angstroms radius around Potassium atom.
In total 8 binding sites of Potassium where determined in the
Crystal Structure of B-1,4-Mannopyranosyl-Chitobiose Phosphorylase at 1.60 Angstrom in Complex with Beta-D- Mannopyranose and Inorganic Phosphate, PDB code: 4udj:
Jump to Potassium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Potassium binding site 1 out
of 8 in 4udj
Go back to
Potassium Binding Sites List in 4udj
Potassium binding site 1 out
of 8 in the Crystal Structure of B-1,4-Mannopyranosyl-Chitobiose Phosphorylase at 1.60 Angstrom in Complex with Beta-D- Mannopyranose and Inorganic Phosphate
Mono view
Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 1 of Crystal Structure of B-1,4-Mannopyranosyl-Chitobiose Phosphorylase at 1.60 Angstrom in Complex with Beta-D- Mannopyranose and Inorganic Phosphate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:K333
b:61.1
occ:1.00
|
O
|
A:HOH493
|
2.7
|
23.4
|
1.0
|
O
|
A:TRP255
|
2.7
|
16.2
|
1.0
|
O
|
A:HOH536
|
2.8
|
26.3
|
1.0
|
O
|
A:VAL197
|
2.9
|
12.4
|
1.0
|
O
|
A:HIS196
|
3.1
|
12.5
|
1.0
|
O
|
A:HOH494
|
3.3
|
25.1
|
1.0
|
O
|
A:HOH546
|
3.5
|
21.4
|
1.0
|
C
|
A:VAL197
|
3.7
|
13.4
|
1.0
|
CA
|
A:VAL197
|
3.9
|
12.6
|
1.0
|
C
|
A:TRP255
|
3.9
|
16.0
|
1.0
|
C
|
A:HIS196
|
4.0
|
12.6
|
1.0
|
N
|
A:VAL197
|
4.3
|
12.6
|
1.0
|
ND1
|
A:HIS196
|
4.4
|
15.0
|
1.0
|
CA
|
A:LYS256
|
4.6
|
16.1
|
1.0
|
CG2
|
A:VAL257
|
4.6
|
15.7
|
1.0
|
N
|
A:VAL257
|
4.7
|
15.0
|
1.0
|
N
|
A:LYS256
|
4.7
|
15.5
|
1.0
|
CD1
|
A:TRP255
|
4.8
|
19.4
|
1.0
|
CB
|
A:TRP255
|
4.8
|
17.5
|
1.0
|
N
|
A:MET198
|
4.8
|
13.6
|
1.0
|
CA
|
A:TRP255
|
4.8
|
16.3
|
1.0
|
|
Potassium binding site 2 out
of 8 in 4udj
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Potassium Binding Sites List in 4udj
Potassium binding site 2 out
of 8 in the Crystal Structure of B-1,4-Mannopyranosyl-Chitobiose Phosphorylase at 1.60 Angstrom in Complex with Beta-D- Mannopyranose and Inorganic Phosphate
Mono view
Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 2 of Crystal Structure of B-1,4-Mannopyranosyl-Chitobiose Phosphorylase at 1.60 Angstrom in Complex with Beta-D- Mannopyranose and Inorganic Phosphate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:K606
b:36.4
occ:1.00
|
O
|
A:HOH609
|
2.6
|
12.5
|
1.0
|
OD2
|
A:ASP277
|
2.6
|
13.9
|
1.0
|
OG
|
A:SER41
|
2.7
|
9.2
|
1.0
|
O
|
A:ASP304
|
2.7
|
10.4
|
1.0
|
CB
|
A:SER41
|
3.4
|
9.8
|
1.0
|
CG
|
A:ASP277
|
3.5
|
14.7
|
1.0
|
CB
|
A:ASP277
|
3.5
|
13.7
|
1.0
|
CE1
|
A:PHE43
|
3.6
|
12.7
|
0.5
|
ND2
|
A:ASN40
|
3.6
|
10.1
|
1.0
|
NH2
|
A:ARG65
|
3.6
|
12.7
|
1.0
|
CE1
|
A:PHE43
|
3.7
|
10.9
|
0.5
|
C
|
A:ASP304
|
3.9
|
10.6
|
1.0
|
CZ
|
A:PHE43
|
3.9
|
12.2
|
0.5
|
CZ
|
A:PHE43
|
3.9
|
10.6
|
0.5
|
CZ
|
A:ARG65
|
4.1
|
13.0
|
1.0
|
CB
|
A:ASP304
|
4.2
|
11.6
|
1.0
|
CD1
|
A:PHE43
|
4.3
|
12.5
|
0.5
|
OD2
|
A:ASP61
|
4.3
|
9.3
|
1.0
|
NE
|
A:ARG65
|
4.3
|
12.4
|
1.0
|
O
|
A:HOH457
|
4.4
|
14.1
|
1.0
|
CD1
|
A:PHE43
|
4.5
|
10.8
|
0.5
|
CB
|
A:ASP61
|
4.7
|
9.3
|
1.0
|
OD1
|
A:ASP277
|
4.7
|
17.3
|
1.0
|
CA
|
A:ASP304
|
4.7
|
10.9
|
1.0
|
CG
|
A:ASP61
|
4.8
|
9.2
|
1.0
|
O
|
A:HOH375
|
4.8
|
8.2
|
1.0
|
NH1
|
A:ARG65
|
4.8
|
12.9
|
1.0
|
CA
|
A:SER41
|
4.9
|
9.9
|
1.0
|
N
|
A:THR305
|
4.9
|
10.2
|
1.0
|
CG
|
A:ASN40
|
4.9
|
10.4
|
1.0
|
CE2
|
A:PHE43
|
4.9
|
10.3
|
0.5
|
CE2
|
A:PHE43
|
4.9
|
11.9
|
0.5
|
CA
|
A:THR305
|
5.0
|
10.7
|
1.0
|
|
Potassium binding site 3 out
of 8 in 4udj
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Potassium Binding Sites List in 4udj
Potassium binding site 3 out
of 8 in the Crystal Structure of B-1,4-Mannopyranosyl-Chitobiose Phosphorylase at 1.60 Angstrom in Complex with Beta-D- Mannopyranose and Inorganic Phosphate
Mono view
Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 3 of Crystal Structure of B-1,4-Mannopyranosyl-Chitobiose Phosphorylase at 1.60 Angstrom in Complex with Beta-D- Mannopyranose and Inorganic Phosphate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:K607
b:44.6
occ:1.00
|
OD2
|
F:ASP277
|
2.5
|
23.8
|
1.0
|
O
|
F:HOH587
|
2.6
|
21.4
|
1.0
|
O
|
F:ASP304
|
2.7
|
16.8
|
1.0
|
OG
|
F:SER41
|
2.8
|
17.7
|
1.0
|
CG
|
F:ASP277
|
3.4
|
24.5
|
1.0
|
CB
|
F:SER41
|
3.5
|
18.7
|
1.0
|
CB
|
F:ASP277
|
3.5
|
21.3
|
1.0
|
NH2
|
F:ARG65
|
3.5
|
16.0
|
1.0
|
ND2
|
F:ASN40
|
3.7
|
18.4
|
1.0
|
CE1
|
F:PHE43
|
3.7
|
16.3
|
0.5
|
CE1
|
F:PHE43
|
3.7
|
17.5
|
0.5
|
C
|
F:ASP304
|
3.9
|
17.4
|
1.0
|
CZ
|
F:PHE43
|
4.0
|
17.3
|
0.5
|
CZ
|
F:ARG65
|
4.0
|
15.9
|
1.0
|
CZ
|
F:PHE43
|
4.1
|
16.0
|
0.5
|
CB
|
F:ASP304
|
4.2
|
16.4
|
1.0
|
O
|
F:HOH457
|
4.2
|
20.6
|
1.0
|
OD2
|
F:ASP61
|
4.3
|
19.1
|
1.0
|
NE
|
F:ARG65
|
4.3
|
15.5
|
1.0
|
CD1
|
F:PHE43
|
4.4
|
16.1
|
0.5
|
CD1
|
F:PHE43
|
4.5
|
17.4
|
0.5
|
OD1
|
F:ASP277
|
4.6
|
25.7
|
1.0
|
CA
|
F:ASP304
|
4.7
|
17.1
|
1.0
|
CB
|
F:ASP61
|
4.8
|
19.1
|
1.0
|
NH1
|
F:ARG65
|
4.8
|
16.0
|
1.0
|
O
|
F:HOH375
|
4.8
|
13.5
|
1.0
|
CG
|
F:ASP61
|
4.9
|
18.6
|
1.0
|
N
|
F:THR305
|
4.9
|
17.9
|
1.0
|
CA
|
F:SER41
|
4.9
|
18.4
|
1.0
|
CA
|
F:THR305
|
5.0
|
18.5
|
1.0
|
CA
|
F:ASP277
|
5.0
|
21.5
|
1.0
|
CG
|
F:ASN40
|
5.0
|
17.9
|
1.0
|
|
Potassium binding site 4 out
of 8 in 4udj
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Potassium Binding Sites List in 4udj
Potassium binding site 4 out
of 8 in the Crystal Structure of B-1,4-Mannopyranosyl-Chitobiose Phosphorylase at 1.60 Angstrom in Complex with Beta-D- Mannopyranose and Inorganic Phosphate
Mono view
Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 4 of Crystal Structure of B-1,4-Mannopyranosyl-Chitobiose Phosphorylase at 1.60 Angstrom in Complex with Beta-D- Mannopyranose and Inorganic Phosphate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:K333
b:61.2
occ:1.00
|
O
|
B:TRP255
|
2.7
|
16.2
|
1.0
|
O
|
B:HOH493
|
2.8
|
24.4
|
1.0
|
O
|
B:HOH536
|
2.8
|
25.8
|
1.0
|
O
|
B:HIS196
|
2.9
|
12.8
|
1.0
|
O
|
B:VAL197
|
3.0
|
12.4
|
1.0
|
O
|
B:HOH494
|
3.1
|
22.7
|
1.0
|
C
|
B:VAL197
|
3.7
|
12.9
|
1.0
|
CA
|
B:VAL197
|
3.8
|
12.4
|
1.0
|
C
|
B:TRP255
|
3.8
|
15.9
|
1.0
|
C
|
B:HIS196
|
3.9
|
12.6
|
1.0
|
O
|
B:HOH546
|
4.0
|
36.7
|
1.0
|
N
|
B:VAL197
|
4.3
|
11.8
|
1.0
|
CA
|
B:LYS256
|
4.3
|
17.2
|
1.0
|
N
|
B:LYS256
|
4.5
|
15.8
|
1.0
|
ND1
|
B:HIS196
|
4.5
|
14.0
|
1.0
|
N
|
B:VAL257
|
4.5
|
16.5
|
1.0
|
CD1
|
B:TRP255
|
4.7
|
18.2
|
1.0
|
CG2
|
B:VAL257
|
4.7
|
18.7
|
1.0
|
CA
|
B:TRP255
|
4.8
|
15.4
|
1.0
|
CB
|
B:TRP255
|
4.8
|
16.8
|
1.0
|
N
|
B:MET198
|
4.9
|
13.7
|
1.0
|
C
|
B:LYS256
|
5.0
|
17.3
|
1.0
|
|
Potassium binding site 5 out
of 8 in 4udj
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Potassium Binding Sites List in 4udj
Potassium binding site 5 out
of 8 in the Crystal Structure of B-1,4-Mannopyranosyl-Chitobiose Phosphorylase at 1.60 Angstrom in Complex with Beta-D- Mannopyranose and Inorganic Phosphate
Mono view
Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 5 of Crystal Structure of B-1,4-Mannopyranosyl-Chitobiose Phosphorylase at 1.60 Angstrom in Complex with Beta-D- Mannopyranose and Inorganic Phosphate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:K333
b:60.7
occ:1.00
|
O
|
C:TRP255
|
2.6
|
14.8
|
1.0
|
O
|
C:HOH536
|
2.8
|
24.7
|
1.0
|
O
|
C:VAL197
|
2.9
|
10.7
|
1.0
|
O
|
C:HOH493
|
2.9
|
18.1
|
1.0
|
O
|
C:HIS196
|
3.0
|
10.6
|
1.0
|
O
|
C:HOH494
|
3.4
|
23.0
|
1.0
|
C
|
C:VAL197
|
3.6
|
11.4
|
1.0
|
O
|
C:HOH546
|
3.6
|
27.2
|
1.0
|
CA
|
C:VAL197
|
3.7
|
10.5
|
1.0
|
C
|
C:TRP255
|
3.8
|
15.0
|
1.0
|
C
|
C:HIS196
|
3.9
|
10.5
|
1.0
|
N
|
C:VAL197
|
4.2
|
10.0
|
1.0
|
CA
|
C:LYS256
|
4.3
|
14.6
|
1.0
|
N
|
C:VAL257
|
4.5
|
14.8
|
1.0
|
ND1
|
C:HIS196
|
4.5
|
11.9
|
1.0
|
N
|
C:LYS256
|
4.5
|
13.9
|
1.0
|
CG2
|
C:VAL257
|
4.6
|
16.9
|
1.0
|
CD1
|
C:TRP255
|
4.8
|
16.0
|
1.0
|
CA
|
C:TRP255
|
4.8
|
14.3
|
1.0
|
N
|
C:MET198
|
4.8
|
11.9
|
1.0
|
CB
|
C:TRP255
|
4.9
|
15.2
|
1.0
|
C
|
C:LYS256
|
4.9
|
14.5
|
1.0
|
CB
|
C:VAL197
|
5.0
|
10.6
|
1.0
|
|
Potassium binding site 6 out
of 8 in 4udj
Go back to
Potassium Binding Sites List in 4udj
Potassium binding site 6 out
of 8 in the Crystal Structure of B-1,4-Mannopyranosyl-Chitobiose Phosphorylase at 1.60 Angstrom in Complex with Beta-D- Mannopyranose and Inorganic Phosphate
Mono view
Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 6 of Crystal Structure of B-1,4-Mannopyranosyl-Chitobiose Phosphorylase at 1.60 Angstrom in Complex with Beta-D- Mannopyranose and Inorganic Phosphate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:K333
b:56.7
occ:1.00
|
O
|
D:HOH536
|
2.5
|
27.5
|
1.0
|
O
|
D:TRP255
|
2.7
|
20.1
|
1.0
|
O
|
D:HOH493
|
2.9
|
25.9
|
1.0
|
O
|
D:HIS196
|
3.2
|
13.9
|
1.0
|
O
|
D:HOH494
|
3.2
|
24.5
|
1.0
|
O
|
D:VAL197
|
3.3
|
15.4
|
1.0
|
C
|
D:TRP255
|
3.9
|
19.6
|
1.0
|
C
|
D:VAL197
|
4.0
|
16.0
|
1.0
|
CA
|
D:VAL197
|
4.2
|
14.8
|
1.0
|
C
|
D:HIS196
|
4.2
|
14.2
|
1.0
|
CA
|
D:LYS256
|
4.3
|
19.5
|
1.0
|
N
|
D:VAL257
|
4.5
|
18.5
|
1.0
|
N
|
D:LYS256
|
4.5
|
18.7
|
1.0
|
CD1
|
D:TRP255
|
4.6
|
20.7
|
1.0
|
ND1
|
D:HIS196
|
4.6
|
17.4
|
1.0
|
N
|
D:VAL197
|
4.7
|
14.0
|
1.0
|
CG2
|
D:VAL257
|
4.7
|
18.3
|
1.0
|
CB
|
D:TRP255
|
4.9
|
21.2
|
1.0
|
CA
|
D:TRP255
|
4.9
|
20.0
|
1.0
|
C
|
D:LYS256
|
4.9
|
19.2
|
1.0
|
|
Potassium binding site 7 out
of 8 in 4udj
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Potassium Binding Sites List in 4udj
Potassium binding site 7 out
of 8 in the Crystal Structure of B-1,4-Mannopyranosyl-Chitobiose Phosphorylase at 1.60 Angstrom in Complex with Beta-D- Mannopyranose and Inorganic Phosphate
Mono view
Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 7 of Crystal Structure of B-1,4-Mannopyranosyl-Chitobiose Phosphorylase at 1.60 Angstrom in Complex with Beta-D- Mannopyranose and Inorganic Phosphate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:K333
b:57.4
occ:1.00
|
O
|
E:TRP255
|
2.6
|
18.0
|
1.0
|
O
|
E:HOH536
|
2.6
|
27.4
|
1.0
|
O
|
E:HOH493
|
3.1
|
24.0
|
1.0
|
O
|
E:VAL197
|
3.1
|
13.6
|
1.0
|
O
|
E:HOH494
|
3.1
|
18.4
|
1.0
|
O
|
E:HIS196
|
3.2
|
12.1
|
1.0
|
C
|
E:TRP255
|
3.7
|
18.7
|
1.0
|
O
|
E:HOH597
|
3.8
|
31.1
|
1.0
|
C
|
E:VAL197
|
3.9
|
13.6
|
1.0
|
CA
|
E:VAL197
|
4.0
|
13.1
|
1.0
|
C
|
E:HIS196
|
4.1
|
12.3
|
1.0
|
CA
|
E:LYS256
|
4.2
|
18.7
|
1.0
|
N
|
E:LYS256
|
4.4
|
18.1
|
1.0
|
N
|
E:VAL257
|
4.4
|
19.2
|
1.0
|
CD1
|
E:TRP255
|
4.5
|
19.1
|
1.0
|
N
|
E:VAL197
|
4.5
|
12.2
|
1.0
|
CB
|
E:TRP255
|
4.7
|
17.9
|
1.0
|
CG2
|
E:VAL257
|
4.7
|
21.3
|
1.0
|
CA
|
E:TRP255
|
4.7
|
18.5
|
1.0
|
ND1
|
E:HIS196
|
4.7
|
14.7
|
1.0
|
C
|
E:LYS256
|
4.8
|
19.4
|
1.0
|
|
Potassium binding site 8 out
of 8 in 4udj
Go back to
Potassium Binding Sites List in 4udj
Potassium binding site 8 out
of 8 in the Crystal Structure of B-1,4-Mannopyranosyl-Chitobiose Phosphorylase at 1.60 Angstrom in Complex with Beta-D- Mannopyranose and Inorganic Phosphate
Mono view
Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 8 of Crystal Structure of B-1,4-Mannopyranosyl-Chitobiose Phosphorylase at 1.60 Angstrom in Complex with Beta-D- Mannopyranose and Inorganic Phosphate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:K333
b:64.1
occ:1.00
|
O
|
F:HOH536
|
2.7
|
24.4
|
1.0
|
O
|
F:TRP255
|
2.7
|
19.0
|
1.0
|
O
|
F:HOH493
|
2.7
|
19.0
|
1.0
|
O
|
F:VAL197
|
3.0
|
17.1
|
1.0
|
O
|
F:HIS196
|
3.1
|
14.7
|
1.0
|
O
|
F:HOH494
|
3.3
|
27.1
|
1.0
|
C
|
F:VAL197
|
3.8
|
17.5
|
1.0
|
C
|
F:TRP255
|
3.8
|
19.1
|
1.0
|
CA
|
F:VAL197
|
3.9
|
16.6
|
1.0
|
C
|
F:HIS196
|
4.1
|
15.4
|
1.0
|
CA
|
F:LYS256
|
4.3
|
20.6
|
1.0
|
N
|
F:VAL197
|
4.5
|
15.0
|
1.0
|
N
|
F:LYS256
|
4.5
|
19.0
|
1.0
|
ND1
|
F:HIS196
|
4.5
|
19.0
|
1.0
|
N
|
F:VAL257
|
4.5
|
19.8
|
1.0
|
CD1
|
F:TRP255
|
4.7
|
17.8
|
1.0
|
CG2
|
F:VAL257
|
4.7
|
18.4
|
1.0
|
CA
|
F:TRP255
|
4.8
|
18.4
|
1.0
|
CB
|
F:TRP255
|
4.9
|
19.2
|
1.0
|
C
|
F:LYS256
|
4.9
|
20.4
|
1.0
|
N
|
F:MET198
|
5.0
|
16.4
|
1.0
|
|
Reference:
S.Ladeveze,
G.Cioci,
P.Roblin,
L.Mourey,
S.Tranier,
G.Potocki-Veronese.
Structural Bases For N-Glycan Processing By Mannoside Phosphorylase Acta Crystallogr.,Sect.D V. 71 1 2015.
ISSN: ISSN 0907-4449
DOI: 10.1107/S1399004715006604
Page generated: Mon Aug 12 12:14:47 2024
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