Chlorine in PDB 3ezw: Crystal Structure of A Hyperactive Escherichia Coli Glycerol Kinase Mutant GLY230 --> Asp Obtained Using Microfluidic Crystallization Devices
Enzymatic activity of Crystal Structure of A Hyperactive Escherichia Coli Glycerol Kinase Mutant GLY230 --> Asp Obtained Using Microfluidic Crystallization Devices
All present enzymatic activity of Crystal Structure of A Hyperactive Escherichia Coli Glycerol Kinase Mutant GLY230 --> Asp Obtained Using Microfluidic Crystallization Devices:
2.7.1.30;
Protein crystallography data
The structure of Crystal Structure of A Hyperactive Escherichia Coli Glycerol Kinase Mutant GLY230 --> Asp Obtained Using Microfluidic Crystallization Devices, PDB code: 3ezw
was solved by
M.J.Anderson,
B.Delabarre,
P.Dunten,
A.T.Brunger,
S.R.Quake,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
20.00 /
2.00
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
91.116,
114.260,
212.624,
90.00,
91.15,
90.00
|
R / Rfree (%)
|
16.7 /
22.5
|
Other elements in 3ezw:
The structure of Crystal Structure of A Hyperactive Escherichia Coli Glycerol Kinase Mutant GLY230 --> Asp Obtained Using Microfluidic Crystallization Devices also contains other interesting chemical elements:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of A Hyperactive Escherichia Coli Glycerol Kinase Mutant GLY230 --> Asp Obtained Using Microfluidic Crystallization Devices
(pdb code 3ezw). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the
Crystal Structure of A Hyperactive Escherichia Coli Glycerol Kinase Mutant GLY230 --> Asp Obtained Using Microfluidic Crystallization Devices, PDB code: 3ezw:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Chlorine binding site 1 out
of 8 in 3ezw
Go back to
Chlorine Binding Sites List in 3ezw
Chlorine binding site 1 out
of 8 in the Crystal Structure of A Hyperactive Escherichia Coli Glycerol Kinase Mutant GLY230 --> Asp Obtained Using Microfluidic Crystallization Devices
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Crystal Structure of A Hyperactive Escherichia Coli Glycerol Kinase Mutant GLY230 --> Asp Obtained Using Microfluidic Crystallization Devices within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl2648
b:23.5
occ:1.00
|
O
|
A:HOH9099
|
2.9
|
42.3
|
1.0
|
NE
|
A:ARG177
|
3.3
|
22.1
|
1.0
|
N
|
A:GLN226
|
3.3
|
29.9
|
1.0
|
CG2
|
A:VAL178
|
3.6
|
20.5
|
1.0
|
CG
|
A:GLN226
|
3.8
|
32.2
|
1.0
|
CA
|
A:GLY225
|
3.8
|
32.5
|
1.0
|
O
|
A:GLN226
|
3.9
|
27.2
|
1.0
|
CD
|
A:ARG177
|
3.9
|
22.5
|
1.0
|
CB
|
A:ARG177
|
3.9
|
23.2
|
1.0
|
C
|
A:GLY225
|
4.1
|
30.9
|
1.0
|
CB
|
A:GLN226
|
4.1
|
31.2
|
1.0
|
CA
|
A:GLN226
|
4.1
|
29.0
|
1.0
|
CZ
|
A:ARG177
|
4.3
|
23.7
|
1.0
|
CG2
|
A:THR174
|
4.3
|
23.8
|
1.0
|
CB
|
A:THR174
|
4.3
|
22.5
|
1.0
|
NH2
|
A:ARG177
|
4.3
|
25.7
|
1.0
|
C
|
A:GLN226
|
4.5
|
27.4
|
1.0
|
CG
|
A:ARG177
|
4.5
|
23.6
|
1.0
|
CD
|
A:GLN226
|
4.8
|
30.2
|
1.0
|
CB
|
A:VAL178
|
5.0
|
22.4
|
1.0
|
O
|
A:TYR224
|
5.0
|
31.0
|
1.0
|
|
Chlorine binding site 2 out
of 8 in 3ezw
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Chlorine Binding Sites List in 3ezw
Chlorine binding site 2 out
of 8 in the Crystal Structure of A Hyperactive Escherichia Coli Glycerol Kinase Mutant GLY230 --> Asp Obtained Using Microfluidic Crystallization Devices
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Crystal Structure of A Hyperactive Escherichia Coli Glycerol Kinase Mutant GLY230 --> Asp Obtained Using Microfluidic Crystallization Devices within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl2649
b:33.4
occ:1.00
|
O
|
B:HOH2881
|
3.1
|
51.3
|
1.0
|
N
|
B:GLN226
|
3.1
|
29.9
|
1.0
|
NE
|
B:ARG177
|
3.1
|
28.0
|
1.0
|
O
|
B:GLN226
|
3.3
|
30.2
|
1.0
|
NH2
|
B:ARG177
|
3.5
|
25.1
|
1.0
|
CA
|
B:GLY225
|
3.6
|
28.7
|
1.0
|
CZ
|
B:ARG177
|
3.8
|
27.7
|
1.0
|
CG2
|
B:VAL178
|
3.8
|
22.6
|
1.0
|
C
|
B:GLY225
|
3.9
|
29.3
|
1.0
|
O
|
B:HOH2828
|
4.1
|
37.4
|
1.0
|
CG2
|
B:THR174
|
4.1
|
21.7
|
1.0
|
C
|
B:GLN226
|
4.2
|
31.3
|
1.0
|
CA
|
B:GLN226
|
4.2
|
30.6
|
1.0
|
CG
|
B:GLN226
|
4.2
|
32.8
|
1.0
|
CD
|
B:ARG177
|
4.2
|
25.9
|
1.0
|
CB
|
B:ARG177
|
4.3
|
26.2
|
1.0
|
CB
|
B:THR174
|
4.4
|
23.5
|
1.0
|
CB
|
B:GLN226
|
4.8
|
31.9
|
1.0
|
CG
|
B:ARG177
|
4.9
|
27.7
|
1.0
|
|
Chlorine binding site 3 out
of 8 in 3ezw
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Chlorine Binding Sites List in 3ezw
Chlorine binding site 3 out
of 8 in the Crystal Structure of A Hyperactive Escherichia Coli Glycerol Kinase Mutant GLY230 --> Asp Obtained Using Microfluidic Crystallization Devices
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Crystal Structure of A Hyperactive Escherichia Coli Glycerol Kinase Mutant GLY230 --> Asp Obtained Using Microfluidic Crystallization Devices within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Cl2642
b:34.7
occ:1.00
|
N
|
E:GLN226
|
3.2
|
35.1
|
1.0
|
NE
|
E:ARG177
|
3.2
|
30.6
|
1.0
|
CA
|
E:GLY225
|
3.6
|
33.1
|
1.0
|
NH2
|
E:ARG177
|
3.6
|
33.7
|
1.0
|
O
|
E:GLN226
|
3.6
|
33.9
|
1.0
|
CG2
|
E:VAL178
|
3.8
|
28.9
|
1.0
|
CZ
|
E:ARG177
|
3.9
|
30.3
|
1.0
|
C
|
E:GLY225
|
3.9
|
34.2
|
1.0
|
CG2
|
E:THR174
|
4.0
|
30.1
|
1.0
|
CA
|
E:GLN226
|
4.2
|
36.5
|
1.0
|
CB
|
E:THR174
|
4.2
|
28.5
|
1.0
|
CD
|
E:ARG177
|
4.3
|
28.4
|
1.0
|
C
|
E:GLN226
|
4.3
|
36.2
|
1.0
|
CB
|
E:ARG177
|
4.4
|
30.0
|
1.0
|
CB
|
E:GLN226
|
4.6
|
38.2
|
1.0
|
CG
|
E:GLN226
|
4.8
|
42.7
|
1.0
|
NH1
|
E:ARG236
|
4.8
|
60.5
|
1.0
|
N
|
E:GLY225
|
4.9
|
31.7
|
1.0
|
CG
|
E:ARG177
|
5.0
|
29.4
|
1.0
|
|
Chlorine binding site 4 out
of 8 in 3ezw
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Chlorine Binding Sites List in 3ezw
Chlorine binding site 4 out
of 8 in the Crystal Structure of A Hyperactive Escherichia Coli Glycerol Kinase Mutant GLY230 --> Asp Obtained Using Microfluidic Crystallization Devices
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Crystal Structure of A Hyperactive Escherichia Coli Glycerol Kinase Mutant GLY230 --> Asp Obtained Using Microfluidic Crystallization Devices within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Cl2644
b:28.8
occ:1.00
|
N
|
G:GLN226
|
3.2
|
27.5
|
1.0
|
NE
|
G:ARG177
|
3.3
|
25.3
|
1.0
|
CA
|
G:GLY225
|
3.5
|
27.2
|
1.0
|
CG2
|
G:VAL178
|
3.6
|
24.9
|
1.0
|
O
|
G:GLN226
|
3.7
|
27.4
|
1.0
|
NH2
|
G:ARG177
|
3.7
|
28.2
|
1.0
|
C
|
G:GLY225
|
3.9
|
26.8
|
1.0
|
CZ
|
G:ARG177
|
3.9
|
24.4
|
1.0
|
CG2
|
G:THR174
|
4.1
|
21.7
|
1.0
|
CA
|
G:GLN226
|
4.2
|
28.7
|
1.0
|
CB
|
G:THR174
|
4.3
|
23.3
|
1.0
|
CD
|
G:ARG177
|
4.3
|
21.9
|
1.0
|
CB
|
G:GLN226
|
4.3
|
30.3
|
1.0
|
C
|
G:GLN226
|
4.4
|
27.8
|
1.0
|
CB
|
G:ARG177
|
4.4
|
24.4
|
1.0
|
CG
|
G:GLN226
|
4.5
|
35.0
|
1.0
|
N
|
G:GLY225
|
4.9
|
26.4
|
1.0
|
O
|
G:TYR224
|
4.9
|
24.5
|
1.0
|
CG
|
G:ARG177
|
5.0
|
24.4
|
1.0
|
|
Chlorine binding site 5 out
of 8 in 3ezw
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Chlorine Binding Sites List in 3ezw
Chlorine binding site 5 out
of 8 in the Crystal Structure of A Hyperactive Escherichia Coli Glycerol Kinase Mutant GLY230 --> Asp Obtained Using Microfluidic Crystallization Devices
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of Crystal Structure of A Hyperactive Escherichia Coli Glycerol Kinase Mutant GLY230 --> Asp Obtained Using Microfluidic Crystallization Devices within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl2650
b:32.5
occ:1.00
|
N
|
C:GLN226
|
3.1
|
30.6
|
1.0
|
NE
|
C:ARG177
|
3.2
|
34.0
|
1.0
|
CA
|
C:GLY225
|
3.6
|
29.7
|
1.0
|
O
|
C:GLN226
|
3.6
|
31.5
|
1.0
|
NH2
|
C:ARG177
|
3.6
|
35.2
|
1.0
|
CG2
|
C:VAL178
|
3.7
|
25.1
|
1.0
|
C
|
C:GLY225
|
3.8
|
29.8
|
1.0
|
CZ
|
C:ARG177
|
3.9
|
35.2
|
1.0
|
CA
|
C:GLN226
|
4.1
|
32.1
|
1.0
|
CG2
|
C:THR174
|
4.2
|
25.2
|
1.0
|
CD
|
C:ARG177
|
4.2
|
33.1
|
1.0
|
CB
|
C:THR174
|
4.2
|
29.0
|
1.0
|
C
|
C:GLN226
|
4.3
|
32.3
|
1.0
|
CB
|
C:ARG177
|
4.3
|
31.0
|
1.0
|
CB
|
C:GLN226
|
4.5
|
33.7
|
1.0
|
CG
|
C:GLN226
|
4.8
|
36.1
|
1.0
|
CG
|
C:ARG177
|
4.9
|
32.2
|
1.0
|
N
|
C:GLY225
|
5.0
|
27.6
|
1.0
|
|
Chlorine binding site 6 out
of 8 in 3ezw
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Chlorine Binding Sites List in 3ezw
Chlorine binding site 6 out
of 8 in the Crystal Structure of A Hyperactive Escherichia Coli Glycerol Kinase Mutant GLY230 --> Asp Obtained Using Microfluidic Crystallization Devices
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 6 of Crystal Structure of A Hyperactive Escherichia Coli Glycerol Kinase Mutant GLY230 --> Asp Obtained Using Microfluidic Crystallization Devices within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl2641
b:37.2
occ:1.00
|
NE
|
D:ARG177
|
2.9
|
40.3
|
1.0
|
NH2
|
D:ARG177
|
3.4
|
42.4
|
1.0
|
N
|
D:GLN226
|
3.5
|
33.5
|
1.0
|
CZ
|
D:ARG177
|
3.6
|
38.8
|
1.0
|
CG2
|
D:VAL178
|
3.6
|
27.1
|
1.0
|
O
|
D:GLN226
|
3.7
|
34.3
|
1.0
|
CA
|
D:GLY225
|
3.8
|
32.4
|
1.0
|
CD
|
D:ARG177
|
4.0
|
36.5
|
1.0
|
CB
|
D:ARG177
|
4.1
|
29.8
|
1.0
|
C
|
D:GLY225
|
4.2
|
32.2
|
1.0
|
CG2
|
D:THR174
|
4.3
|
27.1
|
1.0
|
CB
|
D:THR174
|
4.3
|
29.6
|
1.0
|
NH2
|
D:ARG236
|
4.4
|
58.7
|
1.0
|
CA
|
D:GLN226
|
4.4
|
35.1
|
1.0
|
CB
|
D:GLN226
|
4.4
|
36.1
|
1.0
|
C
|
D:GLN226
|
4.5
|
34.9
|
1.0
|
CG
|
D:ARG177
|
4.7
|
31.9
|
1.0
|
NH1
|
D:ARG177
|
4.9
|
39.4
|
1.0
|
|
Chlorine binding site 7 out
of 8 in 3ezw
Go back to
Chlorine Binding Sites List in 3ezw
Chlorine binding site 7 out
of 8 in the Crystal Structure of A Hyperactive Escherichia Coli Glycerol Kinase Mutant GLY230 --> Asp Obtained Using Microfluidic Crystallization Devices
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 7 of Crystal Structure of A Hyperactive Escherichia Coli Glycerol Kinase Mutant GLY230 --> Asp Obtained Using Microfluidic Crystallization Devices within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Cl2643
b:35.5
occ:1.00
|
NE
|
F:ARG177
|
3.2
|
37.0
|
1.0
|
N
|
F:GLN226
|
3.2
|
37.2
|
1.0
|
O
|
F:GLN226
|
3.5
|
38.9
|
1.0
|
NH2
|
F:ARG177
|
3.6
|
42.9
|
1.0
|
CA
|
F:GLY225
|
3.7
|
33.2
|
1.0
|
CZ
|
F:ARG177
|
3.8
|
41.5
|
1.0
|
CG2
|
F:VAL178
|
3.9
|
27.0
|
1.0
|
C
|
F:GLY225
|
4.0
|
34.5
|
1.0
|
CG2
|
F:THR174
|
4.0
|
31.8
|
1.0
|
CA
|
F:GLN226
|
4.1
|
39.2
|
1.0
|
CD
|
F:ARG177
|
4.2
|
34.1
|
1.0
|
C
|
F:GLN226
|
4.2
|
39.9
|
1.0
|
CB
|
F:THR174
|
4.2
|
31.3
|
1.0
|
CB
|
F:ARG177
|
4.4
|
30.7
|
1.0
|
CB
|
F:GLN226
|
4.4
|
40.5
|
1.0
|
CG
|
F:ARG177
|
4.9
|
33.1
|
1.0
|
|
Chlorine binding site 8 out
of 8 in 3ezw
Go back to
Chlorine Binding Sites List in 3ezw
Chlorine binding site 8 out
of 8 in the Crystal Structure of A Hyperactive Escherichia Coli Glycerol Kinase Mutant GLY230 --> Asp Obtained Using Microfluidic Crystallization Devices
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 8 of Crystal Structure of A Hyperactive Escherichia Coli Glycerol Kinase Mutant GLY230 --> Asp Obtained Using Microfluidic Crystallization Devices within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Cl2645
b:39.0
occ:1.00
|
NE
|
H:ARG177
|
3.0
|
34.2
|
1.0
|
NH2
|
H:ARG177
|
3.3
|
38.7
|
1.0
|
N
|
H:GLN226
|
3.3
|
35.1
|
1.0
|
O
|
H:GLN226
|
3.5
|
35.6
|
1.0
|
CZ
|
H:ARG177
|
3.6
|
33.9
|
1.0
|
CA
|
H:GLY225
|
3.8
|
31.3
|
1.0
|
CG2
|
H:VAL178
|
3.8
|
25.8
|
1.0
|
CG2
|
H:THR174
|
4.0
|
28.6
|
1.0
|
C
|
H:GLY225
|
4.1
|
32.1
|
1.0
|
CB
|
H:ARG177
|
4.1
|
30.8
|
1.0
|
CD
|
H:ARG177
|
4.1
|
32.5
|
1.0
|
CG
|
H:GLN226
|
4.1
|
42.4
|
1.0
|
CB
|
H:THR174
|
4.2
|
29.7
|
1.0
|
CA
|
H:GLN226
|
4.3
|
37.5
|
1.0
|
C
|
H:GLN226
|
4.3
|
38.4
|
1.0
|
CG
|
H:ARG177
|
4.7
|
32.4
|
1.0
|
CB
|
H:GLN226
|
4.8
|
38.1
|
1.0
|
NH1
|
H:ARG177
|
4.9
|
35.2
|
1.0
|
|
Reference:
M.J.Anderson,
B.Delabarre,
A.Raghunathan,
B.O.Palsson,
A.T.Brunger,
S.R.Quake.
Crystal Structure of A Hyperactive Escherichia Coli Glycerol Kinase Mutant GLY230 --> Asp Obtained Using Microfluidic Crystallization Devices. Biochemistry V. 46 5722 2007.
ISSN: ISSN 0006-2960
PubMed: 17441732
DOI: 10.1021/BI700096P
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