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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:

Magnesium (Mg) 1 atom

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

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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 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 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 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 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 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

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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

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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
Page generated: Sat Jul 20 19:03:08 2024

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