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Chlorine in PDB 2q02: Crystal Structure of A Xylose Isomerase Domain Containing Protein (STM4435) From Salmonella Typhimurium LT2 at 2.40 A Resolution

Protein crystallography data

The structure of Crystal Structure of A Xylose Isomerase Domain Containing Protein (STM4435) From Salmonella Typhimurium LT2 at 2.40 A Resolution, PDB code: 2q02 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) 29.39 / 2.40
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 94.500, 95.230, 136.710, 90.00, 90.00, 90.00
R / Rfree (%) 18.4 / 22.8

Other elements in 2q02:

The structure of Crystal Structure of A Xylose Isomerase Domain Containing Protein (STM4435) From Salmonella Typhimurium LT2 at 2.40 A Resolution also contains other interesting chemical elements:

Zinc (Zn) 6 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of A Xylose Isomerase Domain Containing Protein (STM4435) From Salmonella Typhimurium LT2 at 2.40 A Resolution (pdb code 2q02). 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 Xylose Isomerase Domain Containing Protein (STM4435) From Salmonella Typhimurium LT2 at 2.40 A Resolution, PDB code: 2q02:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 2q02

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Chlorine binding site 1 out of 8 in the Crystal Structure of A Xylose Isomerase Domain Containing Protein (STM4435) From Salmonella Typhimurium LT2 at 2.40 A Resolution


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 Xylose Isomerase Domain Containing Protein (STM4435) From Salmonella Typhimurium LT2 at 2.40 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:53.1
occ:1.00
 ZN A:ZN301 3.0 56.0 1.0
O A:ALA160 4.0 45.0 1.0
OD1 A:ASP126 4.0 49.9 1.0
CG A:LYS122 4.2 44.6 1.0
CB A:LYS122 4.3 46.1 1.0
OD2 A:ASP126 4.5 52.1 1.0
O A:LYS122 4.5 44.3 1.0
CG A:ASP126 4.6 49.1 1.0
CA A:LYS122 4.6 45.4 1.0
CD A:LYS122 4.7 46.8 1.0
CL A:CL303 4.9 58.5 1.0
C A:LYS122 5.0 44.6 1.0

Chlorine binding site 2 out of 8 in 2q02

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Chlorine binding site 2 out of 8 in the Crystal Structure of A Xylose Isomerase Domain Containing Protein (STM4435) From Salmonella Typhimurium LT2 at 2.40 A Resolution


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 Xylose Isomerase Domain Containing Protein (STM4435) From Salmonella Typhimurium LT2 at 2.40 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl303

b:58.5
occ:1.00
 ZN A:ZN301 3.1 56.0 1.0
CB A:LYS122 3.5 46.1 1.0
OE2 A:GLU119 3.8 56.2 1.0
OD2 A:ASP126 3.9 52.1 1.0
N A:ARG123 4.0 45.1 1.0
C A:LYS122 4.0 44.6 1.0
O A:LYS122 4.3 44.3 1.0
CA A:ARG123 4.3 45.5 1.0
CD A:LYS122 4.4 46.8 1.0
CA A:LYS122 4.5 45.4 1.0
CG A:LYS122 4.5 44.6 1.0
CD A:GLU119 4.8 55.0 1.0
CG A:ASP126 4.9 49.1 1.0
CB A:ARG123 4.9 45.4 1.0
CL A:CL302 4.9 53.1 1.0

Chlorine binding site 3 out of 8 in 2q02

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Chlorine binding site 3 out of 8 in the Crystal Structure of A Xylose Isomerase Domain Containing Protein (STM4435) From Salmonella Typhimurium LT2 at 2.40 A Resolution


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 Xylose Isomerase Domain Containing Protein (STM4435) From Salmonella Typhimurium LT2 at 2.40 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl302

b:52.5
occ:1.00
 N B:ARG148 3.2 45.8 1.0
N B:SER149 3.8 45.5 1.0
CA B:LEU147 4.0 45.7 1.0
CB B:ARG148 4.0 44.8 1.0
CA B:ARG148 4.0 45.5 1.0
C B:LEU147 4.1 45.8 1.0
CD1 B:TRP152 4.1 47.2 1.0
CB B:SER149 4.4 45.3 1.0
O B:SER146 4.4 45.1 1.0
CG B:ARG148 4.4 44.4 1.0
C B:ARG148 4.4 45.6 1.0
CD1 B:LEU147 4.6 48.1 1.0
N B:LEU147 4.6 45.2 1.0
CA B:SER149 4.7 45.4 1.0
NE1 B:TRP152 4.8 46.6 1.0
C B:SER146 4.8 44.6 1.0
CG B:TRP152 4.8 47.3 1.0
CD B:ARG148 5.0 43.8 1.0

Chlorine binding site 4 out of 8 in 2q02

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Chlorine binding site 4 out of 8 in the Crystal Structure of A Xylose Isomerase Domain Containing Protein (STM4435) From Salmonella Typhimurium LT2 at 2.40 A Resolution


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 Xylose Isomerase Domain Containing Protein (STM4435) From Salmonella Typhimurium LT2 at 2.40 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl303

b:58.0
occ:1.00
 ZN B:ZN301 2.8 55.9 1.0
O B:ALA160 3.9 45.2 1.0
CG B:LYS122 4.0 44.6 1.0
OD1 B:ASP126 4.1 48.8 1.0
CB B:LYS122 4.1 45.0 1.0
O B:HOH337 4.2 41.3 1.0
CD B:LYS122 4.3 43.9 1.0
O B:LYS122 4.3 44.1 1.0
CA B:LYS122 4.4 45.3 1.0
OD2 B:ASP126 4.6 51.9 1.0
CG B:ASP126 4.7 49.9 1.0
C B:LYS122 4.7 44.8 1.0
CL B:CL304 4.9 70.8 1.0

Chlorine binding site 5 out of 8 in 2q02

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Chlorine binding site 5 out of 8 in the Crystal Structure of A Xylose Isomerase Domain Containing Protein (STM4435) From Salmonella Typhimurium LT2 at 2.40 A Resolution


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 Xylose Isomerase Domain Containing Protein (STM4435) From Salmonella Typhimurium LT2 at 2.40 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl304

b:70.8
occ:1.00
 ZN B:ZN301 3.5 55.9 1.0
OE2 B:GLU119 3.5 51.7 1.0
CB B:LYS122 3.6 45.0 1.0
CD B:LYS122 3.9 43.9 1.0
OD2 B:ASP126 4.3 51.9 1.0
N B:ARG123 4.3 44.7 1.0
C B:LYS122 4.3 44.8 1.0
CG B:LYS122 4.4 44.6 1.0
CD B:GLU119 4.4 53.7 1.0
CA B:LYS122 4.6 45.3 1.0
OE1 B:GLU119 4.6 59.0 1.0
O B:LYS122 4.7 44.1 1.0
CA B:ARG123 4.7 45.5 1.0
CL B:CL303 4.9 58.0 1.0

Chlorine binding site 6 out of 8 in 2q02

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Chlorine binding site 6 out of 8 in the Crystal Structure of A Xylose Isomerase Domain Containing Protein (STM4435) From Salmonella Typhimurium LT2 at 2.40 A Resolution


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 Xylose Isomerase Domain Containing Protein (STM4435) From Salmonella Typhimurium LT2 at 2.40 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl301

b:54.0
occ:1.00
 N C:ARG148 3.1 45.8 1.0
N C:SER149 3.6 45.7 1.0
CA C:LEU147 3.9 45.8 1.0
CA C:ARG148 4.0 45.4 1.0
C C:LEU147 4.0 46.1 1.0
CB C:ARG148 4.0 44.1 1.0
CD1 C:TRP152 4.1 46.9 1.0
CB C:SER149 4.2 46.9 1.0
C C:ARG148 4.3 45.5 1.0
CD1 C:LEU147 4.3 49.0 1.0
O C:HOH341 4.3 34.3 1.0
O C:SER146 4.5 45.3 1.0
CA C:SER149 4.6 45.5 1.0
CG C:ARG148 4.6 42.9 1.0
N C:LEU147 4.6 45.3 1.0
CG C:TRP152 4.8 45.1 1.0
NE1 C:TRP152 4.9 46.3 1.0
C C:SER146 4.9 44.8 1.0
CB C:TRP152 4.9 46.2 1.0

Chlorine binding site 7 out of 8 in 2q02

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Chlorine binding site 7 out of 8 in the Crystal Structure of A Xylose Isomerase Domain Containing Protein (STM4435) From Salmonella Typhimurium LT2 at 2.40 A Resolution


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 Xylose Isomerase Domain Containing Protein (STM4435) From Salmonella Typhimurium LT2 at 2.40 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl302

b:62.3
occ:1.00
 O C:ARG130 3.7 47.3 1.0
O C:HOH352 3.9 48.1 1.0
CE2 C:TYR131 4.1 45.3 1.0
CZ C:TYR131 4.2 48.1 1.0
CD2 C:TYR131 4.4 42.3 1.0
OH C:TYR131 4.6 51.2 1.0
CE1 C:TYR131 4.6 46.2 1.0
C C:ARG130 4.7 45.7 1.0
NE2 C:GLN94 4.8 51.6 1.0
CG C:TYR131 4.8 45.3 1.0
CD1 C:TYR131 4.9 44.6 1.0

Chlorine binding site 8 out of 8 in 2q02

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Chlorine binding site 8 out of 8 in the Crystal Structure of A Xylose Isomerase Domain Containing Protein (STM4435) From Salmonella Typhimurium LT2 at 2.40 A Resolution


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 Xylose Isomerase Domain Containing Protein (STM4435) From Salmonella Typhimurium LT2 at 2.40 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl301

b:54.7
occ:1.00
 N D:ARG148 3.3 45.9 1.0
N D:SER149 3.6 45.3 1.0
CA D:ARG148 4.0 45.5 1.0
CB D:ARG148 4.1 44.6 1.0
CA D:LEU147 4.1 45.8 1.0
CB D:SER149 4.1 46.4 1.0
C D:LEU147 4.2 46.0 1.0
CD1 D:TRP152 4.3 47.4 1.0
O D:HOH314 4.3 34.4 1.0
C D:ARG148 4.3 45.5 1.0
CD1 D:LEU147 4.4 46.3 1.0
CA D:SER149 4.5 45.5 1.0
CG D:ARG148 4.6 43.8 1.0
O D:SER146 4.7 44.9 1.0
N D:LEU147 4.8 45.5 1.0
OH D:TYR176 4.9 53.4 1.0
CG D:TRP152 4.9 46.5 1.0
CB D:TRP152 5.0 45.8 1.0

Reference:

Joint Center For Structural Genomics (Jcsg), Joint Center For Structural Genomics (Jcsg). N/A N/A.
Page generated: Sat Jul 20 10:23:15 2024

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