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Chlorine in PDB 3qxb: Crystal Structure of A Putative Xylose Isomerase (YP_426450.1) From Rhodospirillum Rubrum Atcc 11170 at 1.90 A Resolution

Protein crystallography data

The structure of Crystal Structure of A Putative Xylose Isomerase (YP_426450.1) From Rhodospirillum Rubrum Atcc 11170 at 1.90 A Resolution, PDB code: 3qxb 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) 29.68 / 1.90
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 76.188, 94.903, 173.197, 90.00, 93.04, 90.00
R / Rfree (%) 15 / 19.2

Other elements in 3qxb:

The structure of Crystal Structure of A Putative Xylose Isomerase (YP_426450.1) From Rhodospirillum Rubrum Atcc 11170 at 1.90 A Resolution also contains other interesting chemical elements:

Manganese (Mn) 8 atoms
Iron (Fe) 8 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of A Putative Xylose Isomerase (YP_426450.1) From Rhodospirillum Rubrum Atcc 11170 at 1.90 A Resolution (pdb code 3qxb). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of A Putative Xylose Isomerase (YP_426450.1) From Rhodospirillum Rubrum Atcc 11170 at 1.90 A Resolution, PDB code: 3qxb:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 3qxb

Go back to Chlorine Binding Sites List in 3qxb
Chlorine binding site 1 out of 5 in the Crystal Structure of A Putative Xylose Isomerase (YP_426450.1) From Rhodospirillum Rubrum Atcc 11170 at 1.90 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 Putative Xylose Isomerase (YP_426450.1) From Rhodospirillum Rubrum Atcc 11170 at 1.90 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl350

b:24.8
occ:1.00
 O A:HOH880 3.0 32.6 1.0
NH1 A:ARG99 3.3 21.0 1.0
NZ A:LYS98 3.3 17.1 1.0
OE1 A:GLN95 3.4 23.2 1.0
CG A:ARG99 3.6 16.1 1.0
CD A:ARG99 3.8 19.0 1.0
CE A:LYS98 3.8 19.0 1.0
CD A:LYS98 3.8 16.7 1.0
CG A:GLN95 3.9 17.9 1.0
CD A:GLN95 4.1 22.2 1.0
CZ A:ARG99 4.3 20.1 1.0
NE A:ARG99 4.5 19.5 1.0
O A:HOH964 4.5 32.5 1.0
O A:HOH895 4.5 34.5 1.0
O A:HOH391 4.9 16.5 1.0

Chlorine binding site 2 out of 5 in 3qxb

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Chlorine binding site 2 out of 5 in the Crystal Structure of A Putative Xylose Isomerase (YP_426450.1) From Rhodospirillum Rubrum Atcc 11170 at 1.90 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 Putative Xylose Isomerase (YP_426450.1) From Rhodospirillum Rubrum Atcc 11170 at 1.90 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl351

b:34.7
occ:1.00
 O B:HOH463 3.1 21.3 1.0
O1 A:EDO359 3.3 57.0 1.0
N A:LEU15 3.5 23.0 1.0
N A:GLU16 3.6 25.3 1.0
N B:ALA122 3.7 25.1 1.0
CB B:SER120 3.7 22.1 1.0
OG B:SER120 3.8 23.1 1.0
O A:ARG13 3.8 21.1 1.0
CB B:ALA122 3.8 26.4 1.0
CA A:TRP14 3.9 22.8 1.0
CB A:GLU16 3.9 26.7 1.0
N B:ALA121 4.0 22.7 1.0
C A:TRP14 4.0 23.1 1.0
CG A:ARG19 4.3 35.4 1.0
CA A:GLU16 4.4 25.1 1.0
CA B:ALA122 4.4 26.0 1.0
CA A:LEU15 4.4 23.5 1.0
CB B:ALA121 4.4 24.0 1.0
C A:LEU15 4.5 23.4 1.0
CA B:ALA121 4.6 23.8 1.0
C B:ALA121 4.6 24.2 1.0
C B:SER120 4.7 21.9 1.0
CB A:TRP14 4.7 22.7 1.0
C1 A:EDO359 4.7 58.4 1.0
C A:ARG13 4.7 21.7 1.0
CA B:SER120 4.7 21.3 1.0
CB A:ARG19 4.8 29.3 1.0
N A:TRP14 4.8 21.6 1.0
CB A:LEU15 4.9 21.6 1.0
O A:HOH1249 4.9 44.5 1.0
CD1 A:TRP14 4.9 22.7 1.0

Chlorine binding site 3 out of 5 in 3qxb

Go back to Chlorine Binding Sites List in 3qxb
Chlorine binding site 3 out of 5 in the Crystal Structure of A Putative Xylose Isomerase (YP_426450.1) From Rhodospirillum Rubrum Atcc 11170 at 1.90 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 Putative Xylose Isomerase (YP_426450.1) From Rhodospirillum Rubrum Atcc 11170 at 1.90 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl352

b:37.3
occ:1.00
 O A:HOH641 2.9 32.5 1.0
NE B:ARG19 3.4 51.2 1.0
N B:GLU16 3.5 28.6 1.0
N B:LEU15 3.5 27.7 1.0
OG A:SER120 3.6 29.4 1.0
CB B:GLU16 3.7 31.3 1.0
N A:ALA122 3.7 29.8 1.0
CB A:ALA122 3.8 31.2 1.0
CB A:SER120 3.8 26.2 1.0
O B:ARG13 4.0 27.0 1.0
CD B:ARG19 4.0 46.9 1.0
CA B:TRP14 4.0 27.0 1.0
C B:TRP14 4.1 27.5 1.0
N A:ALA121 4.2 27.1 1.0
CA B:GLU16 4.2 29.5 1.0
CZ B:ARG19 4.2 54.7 1.0
NH2 B:ARG19 4.3 55.8 1.0
CA A:ALA122 4.4 31.3 1.0
CA B:LEU15 4.4 27.3 1.0
C B:LEU15 4.4 27.5 1.0
CG B:ARG19 4.5 38.2 1.0
CB A:ALA121 4.6 28.7 1.0
CB B:ARG19 4.7 32.1 1.0
CA A:ALA121 4.7 28.2 1.0
C A:ALA121 4.7 29.5 1.0
C A:SER120 4.7 26.7 1.0
CG B:GLU16 4.8 37.5 1.0
CA A:SER120 4.8 26.3 1.0
CB B:LEU15 4.8 26.1 1.0
CB B:TRP14 4.9 26.6 1.0
C B:ARG13 4.9 25.8 1.0
N B:TRP14 5.0 26.2 1.0

Chlorine binding site 4 out of 5 in 3qxb

Go back to Chlorine Binding Sites List in 3qxb
Chlorine binding site 4 out of 5 in the Crystal Structure of A Putative Xylose Isomerase (YP_426450.1) From Rhodospirillum Rubrum Atcc 11170 at 1.90 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 Putative Xylose Isomerase (YP_426450.1) From Rhodospirillum Rubrum Atcc 11170 at 1.90 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl353

b:36.3
occ:1.00
 O D:HOH795 2.9 29.2 1.0
N C:LEU15 3.5 25.0 1.0
N C:GLU16 3.5 25.9 1.0
CD C:ARG19 3.6 41.9 1.0
OG D:SER120 3.7 24.1 1.0
CB D:SER120 3.7 22.7 1.0
N D:ALA122 3.7 26.8 1.0
CB C:GLU16 3.9 28.5 1.0
CB D:ALA122 3.9 28.5 1.0
O C:ARG13 4.0 22.9 1.0
CA C:TRP14 4.0 24.9 1.0
N D:ALA121 4.1 24.3 1.0
C C:TRP14 4.1 25.5 1.0
NE C:ARG19 4.2 45.2 1.0
CA C:GLU16 4.3 27.6 1.0
CA C:LEU15 4.4 24.5 1.0
C C:LEU15 4.4 25.6 1.0
CB D:ALA121 4.4 25.0 1.0
CA D:ALA122 4.5 27.6 1.0
CA D:ALA121 4.6 25.4 1.0
C D:ALA121 4.7 26.2 1.0
C D:SER120 4.7 24.1 1.0
CB C:LEU15 4.8 23.8 1.0
CA D:SER120 4.8 22.8 1.0
CB C:ARG19 4.8 31.1 1.0
CG C:ARG19 4.8 38.0 1.0
CB C:TRP14 4.9 25.4 1.0
C C:ARG13 4.9 22.7 1.0
N C:TRP14 5.0 23.4 1.0

Chlorine binding site 5 out of 5 in 3qxb

Go back to Chlorine Binding Sites List in 3qxb
Chlorine binding site 5 out of 5 in the Crystal Structure of A Putative Xylose Isomerase (YP_426450.1) From Rhodospirillum Rubrum Atcc 11170 at 1.90 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 Putative Xylose Isomerase (YP_426450.1) From Rhodospirillum Rubrum Atcc 11170 at 1.90 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl354

b:41.9
occ:1.00
 O C:HOH866 3.0 35.5 1.0
N D:GLU16 3.5 30.4 1.0
N D:LEU15 3.5 28.7 1.0
OG C:SER120 3.7 28.0 1.0
CB C:SER120 3.7 24.7 1.0
N C:ALA122 3.8 28.9 1.0
CB D:GLU16 3.8 34.6 1.0
CB C:ALA122 3.8 31.3 1.0
CA D:TRP14 3.9 28.0 1.0
O D:ARG13 4.0 25.7 1.0
C D:TRP14 4.0 28.6 1.0
CA D:GLU16 4.2 32.5 1.0
N C:ALA121 4.2 26.8 1.0
CA D:LEU15 4.4 28.1 1.0
C D:LEU15 4.4 28.8 1.0
CA C:ALA122 4.4 30.6 1.0
CB D:ARG19 4.6 35.4 1.0
CB C:ALA121 4.6 27.2 1.0
C C:SER120 4.7 25.9 1.0
C C:ALA121 4.8 28.7 1.0
CA C:ALA121 4.8 27.4 1.0
CA C:SER120 4.8 25.2 1.0
CB D:TRP14 4.8 28.9 1.0
C D:ARG13 4.9 26.1 1.0
CB D:LEU15 4.9 27.0 1.0
N D:TRP14 4.9 26.9 1.0

Reference:

Joint Center For Structural Genomics (Jcsg), Joint Center For Structural Genomics (Jcsg). N/A N/A.
Page generated: Sat Dec 12 10:05:50 2020

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