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Chlorine in PDB 4hw6: Crystal Structure of An Auxiliary Nutrient Binding Protein (BACOVA_00264) From Bacteroides Ovatus Atcc 8483 at 1.70 A Resolution

Protein crystallography data

The structure of Crystal Structure of An Auxiliary Nutrient Binding Protein (BACOVA_00264) From Bacteroides Ovatus Atcc 8483 at 1.70 A Resolution, PDB code: 4hw6 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) 29.89 / 1.70
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 104.294, 81.554, 128.532, 90.00, 108.60, 90.00
R / Rfree (%) 14.9 / 17.9

Other elements in 4hw6:

The structure of Crystal Structure of An Auxiliary Nutrient Binding Protein (BACOVA_00264) From Bacteroides Ovatus Atcc 8483 at 1.70 A Resolution also contains other interesting chemical elements:

Iodine (I) 12 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of An Auxiliary Nutrient Binding Protein (BACOVA_00264) From Bacteroides Ovatus Atcc 8483 at 1.70 A Resolution (pdb code 4hw6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 10 binding sites of Chlorine where determined in the Crystal Structure of An Auxiliary Nutrient Binding Protein (BACOVA_00264) From Bacteroides Ovatus Atcc 8483 at 1.70 A Resolution, PDB code: 4hw6:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 10 in 4hw6

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Chlorine binding site 1 out of 10 in the Crystal Structure of An Auxiliary Nutrient Binding Protein (BACOVA_00264) From Bacteroides Ovatus Atcc 8483 at 1.70 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 An Auxiliary Nutrient Binding Protein (BACOVA_00264) From Bacteroides Ovatus Atcc 8483 at 1.70 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl504

b:33.7
occ:1.00
 O A:HOH866 2.9 35.8 1.0
O A:HOH810 3.0 27.7 1.0
N A:ILE346 3.2 13.9 1.0
CA A:TYR345 3.6 15.0 1.0
O A:HOH1051 3.7 29.9 1.0
CG2 A:ILE346 3.8 14.5 1.0
C A:TYR345 3.9 14.9 1.0
CB A:ILE346 4.0 14.2 1.0
CB A:TYR345 4.0 17.2 1.0
CE2 A:TYR330 4.2 14.2 1.0
CA A:ILE346 4.2 13.6 1.0
O A:PRO344 4.5 15.5 1.0
CZ A:TYR330 4.7 13.4 1.0
CD2 A:TYR330 4.7 13.7 1.0
OH A:TYR330 4.8 14.7 1.0
N A:TYR345 4.8 14.2 1.0
O A:HOH798 4.9 19.6 1.0

Chlorine binding site 2 out of 10 in 4hw6

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Chlorine binding site 2 out of 10 in the Crystal Structure of An Auxiliary Nutrient Binding Protein (BACOVA_00264) From Bacteroides Ovatus Atcc 8483 at 1.70 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 An Auxiliary Nutrient Binding Protein (BACOVA_00264) From Bacteroides Ovatus Atcc 8483 at 1.70 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl505

b:26.6
occ:1.00
 O A:HOH1043 2.8 32.0 1.0
N A:GLU386 3.1 19.1 1.0
O A:GLU384 3.2 27.8 1.0
CE1 A:HIS313 3.5 17.0 1.0
CA A:ASP385 3.7 20.9 1.0
CD1 A:TYR387 3.8 17.7 1.0
CE1 A:TYR387 3.8 19.2 1.0
CG2 A:THR315 3.8 19.3 1.0
CB A:GLU386 3.9 23.6 1.0
C A:ASP385 3.9 19.8 1.0
CA A:GLU386 4.1 20.4 1.0
OD1 A:ASP385 4.1 18.7 1.0
C A:GLU384 4.1 27.1 1.0
NE2 A:HIS313 4.1 15.1 1.0
CG A:GLU386 4.2 27.3 1.0
N A:ASP385 4.4 24.2 1.0
C2 A:EDO502 4.5 31.9 1.0
OE1 A:GLU386 4.5 32.3 1.0
ND1 A:HIS313 4.6 15.2 1.0
C1 A:EDO502 4.7 27.4 1.0
O A:HOH1035 4.8 20.7 0.3
CG A:ASP385 4.8 19.4 1.0
CB A:ASP385 4.8 20.6 1.0
C A:GLU386 4.8 18.4 1.0
CD A:GLU386 4.8 31.4 1.0
N A:TYR387 4.9 16.7 1.0
O A:GLU383 4.9 29.6 1.0

Chlorine binding site 3 out of 10 in 4hw6

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Chlorine binding site 3 out of 10 in the Crystal Structure of An Auxiliary Nutrient Binding Protein (BACOVA_00264) From Bacteroides Ovatus Atcc 8483 at 1.70 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 An Auxiliary Nutrient Binding Protein (BACOVA_00264) From Bacteroides Ovatus Atcc 8483 at 1.70 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl506

b:18.2
occ:1.00
 O A:HOH741 3.0 24.5 1.0
O A:HOH775 3.1 18.4 1.0
NH1 A:ARG197 3.2 15.7 1.0
N A:ASP171 3.3 17.9 1.0
CA A:PHE170 3.7 15.5 1.0
CB A:ALA195 3.8 14.4 1.0
CG1 A:VAL159 3.8 19.8 1.0
CD A:ARG197 3.9 16.7 1.0
C A:PHE170 4.0 17.0 1.0
O A:ALA169 4.2 16.5 1.0
CD1 A:PHE170 4.2 16.1 1.0
CG A:ARG197 4.2 16.3 1.0
CB A:PHE170 4.2 15.8 1.0
CB A:ASP171 4.2 19.9 1.0
CZ A:ARG197 4.3 15.9 1.0
CA A:ASP171 4.4 18.5 1.0
CG2 A:VAL159 4.4 20.1 1.0
NE A:ARG197 4.5 15.7 1.0
CG A:ASP171 4.6 22.4 1.0
OD2 A:ASP171 4.6 22.3 1.0
O A:HOH604 4.6 15.1 1.0
N A:ALA195 4.6 15.4 1.0
O A:ALA195 4.6 16.9 1.0
CA A:ALA195 4.7 15.9 1.0
CB A:VAL159 4.7 20.8 1.0
CG A:PHE170 4.7 15.3 1.0
N A:PHE170 4.8 15.5 1.0
C A:ALA169 4.9 16.1 1.0
N A:ASN172 4.9 17.9 1.0

Chlorine binding site 4 out of 10 in 4hw6

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Chlorine binding site 4 out of 10 in the Crystal Structure of An Auxiliary Nutrient Binding Protein (BACOVA_00264) From Bacteroides Ovatus Atcc 8483 at 1.70 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 An Auxiliary Nutrient Binding Protein (BACOVA_00264) From Bacteroides Ovatus Atcc 8483 at 1.70 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl507

b:23.9
occ:1.00
 O A:HOH912 2.3 20.8 0.5
O A:HOH742 2.9 23.2 1.0
N A:TRP312 3.3 13.2 1.0
ND2 A:ASN220 3.6 17.5 1.0
CD1 A:TRP312 3.8 15.0 1.0
O A:HOH873 3.9 45.3 1.0
N A:VAL267 3.9 14.8 1.0
CB A:TRP312 3.9 14.5 1.0
CA A:ALA266 4.0 15.3 1.0
CB A:ALA266 4.0 15.7 1.0
CA A:VAL311 4.0 11.9 1.0
O A:VAL267 4.0 15.2 1.0
O A:HOH912 4.1 21.9 0.5
C A:VAL311 4.1 12.8 1.0
O A:HOH867 4.2 36.5 1.0
CA A:TRP312 4.2 13.6 1.0
C A:ALA266 4.3 14.6 1.0
CG A:TRP312 4.3 14.2 1.0
CG1 A:VAL311 4.3 12.2 1.0
O A:ILE310 4.4 13.7 1.0
O A:TRP312 4.7 14.0 1.0
C A:VAL267 4.7 14.7 1.0
CG A:ASN220 4.8 17.9 1.0
CB A:VAL311 4.8 12.5 1.0
CA A:VAL267 4.9 14.7 1.0
N A:VAL311 4.9 12.8 1.0
C A:TRP312 5.0 13.5 1.0

Chlorine binding site 5 out of 10 in 4hw6

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Chlorine binding site 5 out of 10 in the Crystal Structure of An Auxiliary Nutrient Binding Protein (BACOVA_00264) From Bacteroides Ovatus Atcc 8483 at 1.70 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 An Auxiliary Nutrient Binding Protein (BACOVA_00264) From Bacteroides Ovatus Atcc 8483 at 1.70 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl513

b:26.1
occ:1.00
 O B:HOH726 3.0 29.1 1.0
O B:HOH961 3.1 38.6 1.0
N B:ILE346 3.3 15.0 1.0
O B:HOH604 3.3 20.2 1.0
CA B:TYR345 3.7 16.1 1.0
CG2 B:ILE346 3.8 15.2 1.0
CB B:TYR345 3.9 17.2 1.0
C B:TYR345 4.0 15.7 1.0
O B:HOH1135 4.1 42.0 1.0
CB B:ILE346 4.1 14.4 1.0
CA B:ILE346 4.3 14.5 1.0
CE2 B:TYR330 4.7 15.9 1.0
O B:PRO344 4.7 16.9 1.0
O B:ILE346 5.0 16.2 1.0

Chlorine binding site 6 out of 10 in 4hw6

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Chlorine binding site 6 out of 10 in the Crystal Structure of An Auxiliary Nutrient Binding Protein (BACOVA_00264) From Bacteroides Ovatus Atcc 8483 at 1.70 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 An Auxiliary Nutrient Binding Protein (BACOVA_00264) From Bacteroides Ovatus Atcc 8483 at 1.70 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl514

b:16.8
occ:1.00
 O A:HOH612 3.1 29.9 1.0
N A:TYR422 3.2 15.0 1.0
N B:GLU152 3.2 15.1 1.0
O B:HOH603 3.3 16.3 1.0
N B:ASN153 3.3 15.8 1.0
O B:HOH952 3.4 22.2 1.0
CA A:GLY421 3.6 14.5 1.0
O B:HOH951 3.8 26.1 1.0
CA B:GLU152 3.8 16.7 1.0
O A:TYR422 3.9 15.6 1.0
O A:HOH746 3.9 22.2 1.0
C A:GLY421 3.9 13.2 1.0
C B:TYR151 4.0 14.6 1.0
CG2 A:VAL423 4.0 17.4 1.0
CA B:TYR151 4.0 15.6 1.0
C B:GLU152 4.1 16.5 1.0
C A:TYR422 4.2 15.4 1.0
CA A:TYR422 4.2 14.7 1.0
CA B:ASN153 4.2 15.2 1.0
CB B:TYR151 4.5 17.2 1.0
CD1 A:LEU432 4.6 13.7 1.0
O B:HOH708 4.6 21.6 1.0
CB A:TYR422 4.7 15.9 1.0
O A:HOH748 4.8 41.4 1.0
N A:VAL423 5.0 14.9 1.0
O B:TYR151 5.0 14.0 1.0
N A:GLY421 5.0 13.5 1.0
O A:TRP420 5.0 14.2 1.0

Chlorine binding site 7 out of 10 in 4hw6

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Chlorine binding site 7 out of 10 in the Crystal Structure of An Auxiliary Nutrient Binding Protein (BACOVA_00264) From Bacteroides Ovatus Atcc 8483 at 1.70 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 An Auxiliary Nutrient Binding Protein (BACOVA_00264) From Bacteroides Ovatus Atcc 8483 at 1.70 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl515

b:36.3
occ:1.00
 O B:HOH879 2.9 41.9 1.0
O B:HOH647 3.1 17.3 1.0
N B:LEU150 3.1 13.5 1.0
O A:HOH610 3.2 11.9 0.5
O B:LEU150 3.4 18.8 1.0
CA B:LYS149 3.6 14.7 1.0
NH2 B:ARG457 3.6 16.0 1.0
CD B:LYS149 3.8 23.6 1.0
C B:LYS149 3.9 14.5 1.0
O A:HOH610 3.9 17.1 0.5
CB B:LYS149 3.9 17.6 1.0
CE B:LYS149 3.9 25.6 1.0
CA B:LEU150 4.1 12.9 1.0
C B:LEU150 4.2 15.3 1.0
CG B:LYS149 4.5 19.6 1.0
CB B:LEU150 4.6 12.4 1.0
CZ B:ARG457 4.6 15.2 1.0
NE B:ARG457 4.7 14.8 1.0
O B:HOH1094 4.7 34.5 1.0
O B:GLY148 4.7 13.6 1.0
CG1 A:VAL423 4.8 19.1 1.0
O B:HOH817 4.8 29.8 1.0
OD1 B:ASN154 4.8 17.1 1.0
N B:LYS149 4.8 13.6 1.0
O B:HOH1107 4.8 24.6 1.0
O B:HOH1143 4.9 44.6 1.0
CD1 B:LEU150 4.9 12.8 1.0

Chlorine binding site 8 out of 10 in 4hw6

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Chlorine binding site 8 out of 10 in the Crystal Structure of An Auxiliary Nutrient Binding Protein (BACOVA_00264) From Bacteroides Ovatus Atcc 8483 at 1.70 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 An Auxiliary Nutrient Binding Protein (BACOVA_00264) From Bacteroides Ovatus Atcc 8483 at 1.70 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl507

b:32.8
occ:1.00
 N C:ILE346 3.1 18.4 1.0
O C:HOH705 3.1 28.2 1.0
CA C:TYR345 3.6 18.4 1.0
CG2 C:ILE346 3.7 18.3 1.0
O C:HOH852 3.9 35.7 1.0
C C:TYR345 3.9 18.1 1.0
CB C:ILE346 4.0 18.2 1.0
CB C:TYR345 4.0 20.4 1.0
CA C:ILE346 4.1 17.4 1.0
CE2 C:TYR330 4.4 17.9 1.0
O C:HOH1072 4.5 32.6 1.0
O C:PRO344 4.6 19.8 1.0
CZ C:TYR330 4.9 17.4 1.0
N C:TYR345 4.9 18.6 1.0
CD2 C:TYR330 4.9 17.0 1.0
O C:ILE346 5.0 20.0 1.0
O C:HOH660 5.0 22.9 1.0

Chlorine binding site 9 out of 10 in 4hw6

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Chlorine binding site 9 out of 10 in the Crystal Structure of An Auxiliary Nutrient Binding Protein (BACOVA_00264) From Bacteroides Ovatus Atcc 8483 at 1.70 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of An Auxiliary Nutrient Binding Protein (BACOVA_00264) From Bacteroides Ovatus Atcc 8483 at 1.70 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl507

b:35.3
occ:1.00
 O D:HOH805 3.2 41.7 1.0
N D:ILE346 3.2 18.1 1.0
O D:HOH867 3.3 23.6 1.0
CA D:TYR345 3.6 19.9 1.0
CG2 D:ILE346 3.8 18.5 1.0
CB D:TYR345 3.9 21.5 1.0
C D:TYR345 3.9 18.4 1.0
CB D:ILE346 4.1 18.1 1.0
CA D:ILE346 4.2 17.8 1.0
O D:HOH890 4.3 41.2 1.0
CE2 D:TYR330 4.6 19.2 1.0
O D:PRO344 4.7 21.6 1.0
N D:TYR345 4.9 20.4 1.0

Chlorine binding site 10 out of 10 in 4hw6

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Chlorine binding site 10 out of 10 in the Crystal Structure of An Auxiliary Nutrient Binding Protein (BACOVA_00264) From Bacteroides Ovatus Atcc 8483 at 1.70 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of An Auxiliary Nutrient Binding Protein (BACOVA_00264) From Bacteroides Ovatus Atcc 8483 at 1.70 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl508

b:18.2
occ:1.00
 O D:HOH650 3.0 24.5 1.0
NH1 D:ARG197 3.2 15.5 1.0
O D:HOH615 3.2 18.3 1.0
N D:ASP171 3.3 17.4 1.0
CA D:PHE170 3.7 15.0 1.0
CB D:ALA195 3.9 15.1 1.0
CD D:ARG197 3.9 15.4 1.0
CG1 D:VAL159 3.9 19.9 1.0
C D:PHE170 4.0 16.1 1.0
O D:ALA169 4.1 16.3 1.0
CD1 D:PHE170 4.2 15.6 1.0
CB D:ASP171 4.2 18.2 1.0
CB D:PHE170 4.2 15.3 1.0
CG D:ARG197 4.2 14.8 1.0
CZ D:ARG197 4.3 16.0 1.0
CA D:ASP171 4.3 17.7 1.0
CG2 D:VAL159 4.4 19.8 1.0
NE D:ARG197 4.5 15.8 1.0
O D:HOH612 4.6 14.9 1.0
CG D:ASP171 4.6 18.9 1.0
N D:ALA195 4.7 15.7 1.0
CG D:PHE170 4.7 16.9 1.0
O D:ALA195 4.7 15.8 1.0
OD2 D:ASP171 4.7 21.1 1.0
CA D:ALA195 4.7 16.1 1.0
CB D:VAL159 4.7 19.7 1.0
N D:PHE170 4.8 15.6 1.0
C D:ALA169 4.9 15.7 1.0
N D:ASN172 4.9 18.2 1.0

Reference:

Joint Center For Structural Genomics (Jcsg), Joint Center For Structural Genomics (Jcsg). N/A N/A.
Page generated: Sun Jul 21 16:09:53 2024

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