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Chlorine in PDB 2qjw: Crystal Structure of A Putative Hydrolase of the Alpha/Beta Superfamily (XCC1541) From Xanthomonas Campestris Pv. Campestris at 1.35 A Resolution

Protein crystallography data

The structure of Crystal Structure of A Putative Hydrolase of the Alpha/Beta Superfamily (XCC1541) From Xanthomonas Campestris Pv. Campestris at 1.35 A Resolution, PDB code: 2qjw 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) 29.78 / 1.35
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 71.800, 60.640, 74.720, 90.00, 94.57, 90.00
R / Rfree (%) 18.2 / 21.6

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of A Putative Hydrolase of the Alpha/Beta Superfamily (XCC1541) From Xanthomonas Campestris Pv. Campestris at 1.35 A Resolution (pdb code 2qjw). 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 Putative Hydrolase of the Alpha/Beta Superfamily (XCC1541) From Xanthomonas Campestris Pv. Campestris at 1.35 A Resolution, PDB code: 2qjw:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 2qjw

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Chlorine binding site 1 out of 8 in the Crystal Structure of A Putative Hydrolase of the Alpha/Beta Superfamily (XCC1541) From Xanthomonas Campestris Pv. Campestris at 1.35 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 Hydrolase of the Alpha/Beta Superfamily (XCC1541) From Xanthomonas Campestris Pv. Campestris at 1.35 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl176

b:29.5
occ:1.00
 ND1 A:HIS35 2.8 15.1 1.0
NE A:ARG37 2.9 17.8 1.0
O A:HOH367 3.0 50.0 1.0
NH2 A:ARG37 3.4 28.4 1.0
O A:HOH333 3.5 37.6 1.0
CA A:GLU36 3.5 12.5 1.0
CE1 A:HIS35 3.5 15.6 1.0
O A:HOH232 3.6 22.4 1.0
CZ A:ARG37 3.6 27.1 1.0
N A:ARG37 3.7 12.7 1.0
C A:GLU36 3.7 12.9 1.0
O A:HIS35 3.7 13.3 1.0
N A:GLU36 3.7 11.4 1.0
CG A:ARG37 3.7 12.8 1.0
C A:HIS35 3.7 12.6 1.0
CD A:ARG37 3.8 13.3 1.0
CB A:ALA25 3.9 12.6 1.0
CG A:HIS35 3.9 11.8 1.0
O A:HOH324 4.0 36.1 1.0
CB A:ARG37 4.2 12.2 1.0
CB A:HIS35 4.2 10.3 1.0
O A:GLU36 4.4 12.1 1.0
CA A:ARG37 4.6 10.8 1.0
CA A:HIS35 4.6 11.4 1.0
NE2 A:HIS35 4.8 15.4 1.0
CB A:GLU36 4.8 13.7 1.0
NH1 A:ARG37 4.9 23.7 1.0
CD1 A:LEU8 4.9 17.9 1.0
CD2 A:HIS35 4.9 13.1 1.0
CA A:ALA25 5.0 11.3 1.0

Chlorine binding site 2 out of 8 in 2qjw

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Chlorine binding site 2 out of 8 in the Crystal Structure of A Putative Hydrolase of the Alpha/Beta Superfamily (XCC1541) From Xanthomonas Campestris Pv. Campestris at 1.35 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 Hydrolase of the Alpha/Beta Superfamily (XCC1541) From Xanthomonas Campestris Pv. Campestris at 1.35 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl177

b:17.1
occ:1.00
 O A:HOH184 3.0 14.0 1.0
N B:ASP152 3.1 8.7 1.0
NE A:ARG147 3.2 12.4 0.7
NH2 A:ARG147 3.4 14.6 0.7
CA B:VAL151 3.6 11.0 1.0
NE2 B:HIS160 3.7 14.5 1.0
CB A:ARG147 3.7 7.9 0.7
CB B:VAL151 3.8 10.3 1.0
CZ A:ARG147 3.8 13.1 0.7
CB B:ASP152 3.9 10.4 1.0
C B:VAL151 3.9 10.1 1.0
CB A:ARG147 3.9 8.0 0.3
CA B:ASP152 4.1 10.9 1.0
CG A:ARG147 4.1 10.3 0.7
CA A:ARG147 4.2 9.1 0.7
CG1 B:VAL151 4.2 13.0 1.0
CA A:ARG147 4.3 6.1 0.3
CD2 B:HIS160 4.3 13.7 1.0
CD A:ARG147 4.3 15.0 0.7
CD A:ARG147 4.3 12.1 0.3
N A:ARG147 4.4 8.6 0.7
O B:HOH314 4.4 34.7 1.0
CG A:ARG147 4.5 6.2 0.3
CE1 B:HIS160 4.5 14.7 1.0
N A:ARG147 4.5 8.4 0.3
O A:SER145 4.7 12.4 1.0
O B:LEU150 4.8 8.6 1.0
N B:VAL151 4.9 9.7 1.0
C B:ASP152 4.9 9.0 1.0
O B:ASP152 5.0 11.8 1.0

Chlorine binding site 3 out of 8 in 2qjw

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Chlorine binding site 3 out of 8 in the Crystal Structure of A Putative Hydrolase of the Alpha/Beta Superfamily (XCC1541) From Xanthomonas Campestris Pv. Campestris at 1.35 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 Hydrolase of the Alpha/Beta Superfamily (XCC1541) From Xanthomonas Campestris Pv. Campestris at 1.35 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl178

b:23.4
occ:1.00
 O A:HOH352 2.9 40.0 1.0
O B:HOH192 3.1 16.4 1.0
N A:ASP152 3.1 11.5 1.0
NE B:ARG147 3.3 15.8 0.5
NE2 A:HIS160 3.6 19.4 1.0
CB B:ARG147 3.6 10.4 0.5
CA A:VAL151 3.6 9.0 1.0
NH2 B:ARG147 3.7 17.1 0.5
CB A:ASP152 3.8 11.3 1.0
CB A:VAL151 3.8 9.6 1.0
CB B:ARG147 3.9 7.5 0.5
C A:VAL151 3.9 10.0 1.0
CZ B:ARG147 4.0 14.3 0.5
CG B:ARG147 4.0 12.3 0.5
CA A:ASP152 4.0 11.0 1.0
CA B:ARG147 4.0 9.5 0.5
CA B:ARG147 4.1 8.0 0.5
CD B:ARG147 4.2 13.0 0.5
CG1 A:VAL151 4.2 12.9 1.0
N B:ARG147 4.2 10.6 0.5
O A:HOH282 4.3 30.7 1.0
CD2 A:HIS160 4.3 18.3 1.0
CE1 A:HIS160 4.3 16.0 1.0
CG B:ARG147 4.3 9.3 0.5
N B:ARG147 4.3 10.0 0.5
O B:SER145 4.6 13.4 1.0
O B:HOH243 4.7 27.3 1.0
CD B:ARG147 4.7 21.2 0.5
O A:LEU150 4.8 9.9 1.0
C A:ASP152 4.9 11.3 1.0
O A:ASP152 4.9 13.6 1.0
N A:VAL151 4.9 8.7 1.0

Chlorine binding site 4 out of 8 in 2qjw

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Chlorine binding site 4 out of 8 in the Crystal Structure of A Putative Hydrolase of the Alpha/Beta Superfamily (XCC1541) From Xanthomonas Campestris Pv. Campestris at 1.35 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 Hydrolase of the Alpha/Beta Superfamily (XCC1541) From Xanthomonas Campestris Pv. Campestris at 1.35 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl176

b:16.3
occ:1.00
 O B:HOH222 3.1 22.9 1.0
O B:HOH187 3.2 14.3 1.0
N B:GLY11 3.3 11.6 1.0
OG B:SER14 3.4 17.8 1.0
CB B:ALA18 3.6 14.4 1.0
CB B:SER80 3.8 20.6 1.0
CA B:HIS10 3.8 11.8 1.0
N B:VAL21 3.8 14.7 1.0
CB B:HIS10 3.9 11.6 1.0
C B:HIS10 4.1 11.0 1.0
CG1 B:VAL21 4.1 18.3 1.0
CG2 B:VAL21 4.1 16.0 1.0
OG B:SER80 4.2 26.1 1.0
CA B:GLY11 4.2 12.1 1.0
CB B:LYS20 4.2 12.3 1.0
CB B:SER14 4.3 15.5 1.0
O2 B:TLA179 4.4 21.1 1.0
N B:LYS20 4.4 13.3 1.0
CB B:VAL21 4.5 17.2 1.0
CA B:LYS20 4.6 13.7 1.0
C B:LYS20 4.6 11.8 1.0
CA B:VAL21 4.7 12.7 1.0
O B:HOH207 4.7 20.0 1.0
CA B:ALA18 4.8 15.0 1.0
NZ B:LYS20 4.9 16.2 1.0
C B:ALA18 4.9 14.7 1.0

Chlorine binding site 5 out of 8 in 2qjw

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Chlorine binding site 5 out of 8 in the Crystal Structure of A Putative Hydrolase of the Alpha/Beta Superfamily (XCC1541) From Xanthomonas Campestris Pv. Campestris at 1.35 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 Hydrolase of the Alpha/Beta Superfamily (XCC1541) From Xanthomonas Campestris Pv. Campestris at 1.35 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl177

b:31.3
occ:1.00
 O B:HOH248 3.1 28.2 1.0
NE B:ARG3 3.1 30.0 1.0
NE1 B:TRP33 3.2 18.1 1.0
NH2 B:ARG3 3.3 28.9 1.0
CG B:GLN173 3.7 22.7 1.0
CZ B:ARG3 3.7 29.5 1.0
O B:LEU172 3.8 18.0 1.0
CA B:GLN173 3.8 16.3 1.0
C B:LEU172 4.0 15.0 1.0
N B:GLN173 4.0 13.1 1.0
CE2 B:TRP33 4.1 14.8 1.0
O B:LEU31 4.1 17.8 1.0
CB B:LEU31 4.1 15.3 1.0
CD1 B:TRP33 4.2 16.4 1.0
CD B:ARG3 4.2 26.4 1.0
CD1 B:LEU31 4.3 17.7 1.0
CG B:ARG3 4.3 22.5 1.0
CZ2 B:TRP33 4.3 16.9 1.0
CB B:GLN173 4.4 17.2 1.0
CB B:LEU172 4.4 13.0 1.0
CG B:LEU31 4.6 17.4 1.0
CD2 B:LEU31 4.7 27.2 1.0
CD B:GLN173 4.7 37.2 1.0
OE1 B:GLN173 4.7 37.9 1.0
CB B:ARG3 4.7 20.2 1.0
CA B:LEU172 4.9 14.6 1.0
C B:LEU31 5.0 15.9 1.0
C B:GLN173 5.0 17.0 1.0

Chlorine binding site 6 out of 8 in 2qjw

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Chlorine binding site 6 out of 8 in the Crystal Structure of A Putative Hydrolase of the Alpha/Beta Superfamily (XCC1541) From Xanthomonas Campestris Pv. Campestris at 1.35 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 Putative Hydrolase of the Alpha/Beta Superfamily (XCC1541) From Xanthomonas Campestris Pv. Campestris at 1.35 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl178

b:37.0
occ:1.00
 O B:ARG47 2.7 27.6 1.0
C B:GLY50 3.6 25.3 1.0
O B:GLY50 3.6 24.7 1.0
N B:GLN51 3.7 26.2 1.0
C B:ARG47 3.8 27.4 1.0
CA B:GLN51 4.0 27.0 1.0
CA B:GLY50 4.1 25.5 1.0
N B:GLY50 4.2 25.8 1.0
CA B:ARG47 4.4 26.1 1.0
CB B:ARG47 4.5 30.1 1.0
CB B:GLN51 4.7 30.3 1.0
O B:HOH223 4.8 23.2 1.0
N B:ASP48 4.9 24.3 1.0

Chlorine binding site 7 out of 8 in 2qjw

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Chlorine binding site 7 out of 8 in the Crystal Structure of A Putative Hydrolase of the Alpha/Beta Superfamily (XCC1541) From Xanthomonas Campestris Pv. Campestris at 1.35 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 Putative Hydrolase of the Alpha/Beta Superfamily (XCC1541) From Xanthomonas Campestris Pv. Campestris at 1.35 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl176

b:18.2
occ:1.00
 O C:HOH185 3.0 13.9 1.0
N D:ASP152 3.1 10.1 1.0
NE C:ARG147 3.2 19.1 0.7
NH2 C:ARG147 3.4 17.0 0.7
O D:HOH319 3.4 35.7 1.0
CB C:ARG147 3.4 4.2 0.3
CD C:ARG147 3.5 15.4 0.3
NE2 D:HIS160 3.6 15.6 1.0
CA D:VAL151 3.7 8.8 1.0
CG C:ARG147 3.7 8.0 0.3
CB D:ASP152 3.7 9.2 1.0
CZ C:ARG147 3.8 16.8 0.7
CB D:VAL151 3.9 9.7 1.0
C D:VAL151 3.9 9.8 1.0
CB C:ARG147 3.9 6.8 0.7
CA D:ASP152 4.1 9.4 1.0
CA C:ARG147 4.1 6.9 0.3
O D:HOH249 4.1 27.3 1.0
C2 C:PEG179 4.2 40.5 1.0
CG C:ARG147 4.2 8.9 0.7
CD2 D:HIS160 4.2 13.4 1.0
CA C:ARG147 4.3 7.8 0.7
CD C:ARG147 4.3 14.3 0.7
N C:ARG147 4.3 7.8 0.3
CG1 D:VAL151 4.3 11.4 1.0
CE1 D:HIS160 4.5 12.5 1.0
N C:ARG147 4.5 9.0 0.7
C1 C:PEG179 4.6 42.0 1.0
O1 C:PEG179 4.6 27.9 1.0
C3 C:PEG179 4.7 42.6 1.0
O C:SER145 4.7 11.4 1.0
O D:LEU150 4.8 8.0 1.0
NE C:ARG147 4.8 22.8 0.3
C D:ASP152 4.9 10.1 1.0
O D:ASP152 4.9 10.4 1.0
N D:VAL151 5.0 9.9 1.0

Chlorine binding site 8 out of 8 in 2qjw

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Chlorine binding site 8 out of 8 in the Crystal Structure of A Putative Hydrolase of the Alpha/Beta Superfamily (XCC1541) From Xanthomonas Campestris Pv. Campestris at 1.35 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 Putative Hydrolase of the Alpha/Beta Superfamily (XCC1541) From Xanthomonas Campestris Pv. Campestris at 1.35 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl177

b:28.3
occ:1.00
 O D:HOH189 2.8 15.7 1.0
N C:ASP152 2.8 11.9 1.0
CA C:VAL151 3.4 11.8 1.0
CB C:ASP152 3.5 13.0 1.0
C C:VAL151 3.6 9.9 1.0
CB D:ARG147 3.7 12.6 1.0
CA C:ASP152 3.7 12.1 1.0
CB C:VAL151 3.8 13.7 1.0
CA D:ARG147 3.8 11.1 1.0
N D:ARG147 3.9 11.4 1.0
NE2 C:HIS160 4.0 18.3 1.0
O D:SER145 4.0 13.5 1.0
O C:HOH210 4.2 21.3 1.0
O C:HOH269 4.2 31.7 1.0
CG1 C:VAL151 4.2 16.9 1.0
CG D:ARG147 4.3 15.2 1.0
CE1 C:HIS160 4.5 19.0 1.0
O C:LEU150 4.5 10.9 1.0
C D:ALA146 4.5 10.3 1.0
CD D:ARG147 4.6 19.6 1.0
C C:ASP152 4.7 12.0 1.0
O C:ASP152 4.7 14.5 1.0
N C:VAL151 4.7 11.7 1.0
O C:VAL151 4.8 12.6 1.0
O D:ALA146 4.9 12.6 1.0
CD2 C:HIS160 4.9 13.0 1.0
CG C:ASP152 4.9 15.9 1.0

Reference:

Joint Center For Structural Genomics (Jcsg), Joint Center For Structural Genomics (Jcsg). N/A N/A.
Page generated: Sat Jul 20 10:46:38 2024

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