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Chlorine in PDB 4qfu: Crystal Structure of A Glycoside Hydrolase Family 5 (BVU_2644) From Bacteroides Vulgatus Atcc 8482 at 1.90 A Resolution

Protein crystallography data

The structure of Crystal Structure of A Glycoside Hydrolase Family 5 (BVU_2644) From Bacteroides Vulgatus Atcc 8482 at 1.90 A Resolution, PDB code: 4qfu 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) 46.87 / 1.90
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 115.950, 117.589, 125.249, 91.60, 92.82, 98.92
R / Rfree (%) 14.2 / 17.2

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of A Glycoside Hydrolase Family 5 (BVU_2644) From Bacteroides Vulgatus Atcc 8482 at 1.90 A Resolution (pdb code 4qfu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 12 binding sites of Chlorine where determined in the Crystal Structure of A Glycoside Hydrolase Family 5 (BVU_2644) From Bacteroides Vulgatus Atcc 8482 at 1.90 A Resolution, PDB code: 4qfu:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 12 in 4qfu

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Chlorine binding site 1 out of 12 in the Crystal Structure of A Glycoside Hydrolase Family 5 (BVU_2644) From Bacteroides Vulgatus Atcc 8482 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 Glycoside Hydrolase Family 5 (BVU_2644) From Bacteroides Vulgatus Atcc 8482 at 1.90 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl503

b:37.6
occ:1.00
 N A:ARG187 3.2 15.8 1.0
OD1 A:ASN190 3.3 30.5 1.0
CG A:ARG187 3.5 19.6 1.0
CG1 A:ILE186 3.7 19.7 1.0
CB A:ARG187 3.7 17.3 1.0
CD A:ARG216 3.9 41.7 1.0
CA A:ILE186 4.0 14.1 1.0
CD A:ARG187 4.0 19.4 1.0
CA A:ARG187 4.1 16.9 1.0
C A:ILE186 4.1 19.1 1.0
CB A:ASN190 4.1 17.9 1.0
CG A:ASN190 4.1 34.7 1.0
OE2 A:GLU152 4.4 81.1 1.0
CB A:ILE186 4.5 17.6 1.0
CG A:ARG216 4.5 29.0 1.0
NH1 A:ARG216 4.6 55.2 1.0
CB A:ARG216 4.7 20.1 1.0
CD1 A:ILE186 4.9 22.9 1.0
O A:ARG187 4.9 19.6 1.0
CD A:GLU152 4.9 77.1 1.0
NE A:ARG216 5.0 57.8 1.0
O A:ASP185 5.0 17.9 1.0
OE1 A:GLU152 5.0 80.6 1.0

Chlorine binding site 2 out of 12 in 4qfu

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Chlorine binding site 2 out of 12 in the Crystal Structure of A Glycoside Hydrolase Family 5 (BVU_2644) From Bacteroides Vulgatus Atcc 8482 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 Glycoside Hydrolase Family 5 (BVU_2644) From Bacteroides Vulgatus Atcc 8482 at 1.90 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl504

b:37.9
occ:1.00
 N B:ARG187 3.2 16.1 1.0
ND2 B:ASN190 3.3 23.8 1.0
CG B:ARG187 3.5 22.5 1.0
CB B:ARG187 3.6 18.1 1.0
CG1 B:ILE186 3.8 19.4 1.0
NZ H:LYS113 3.8 98.8 1.0
CD B:ARG187 4.0 26.6 1.0
CA B:ARG187 4.0 16.8 1.0
CB B:ASN190 4.0 19.8 1.0
CA B:ILE186 4.0 17.0 1.0
C B:ILE186 4.1 19.3 1.0
CG B:ASN190 4.1 31.2 1.0
CD B:ARG216 4.2 34.9 1.0
NE B:ARG216 4.3 50.9 1.0
CG B:ARG216 4.5 26.3 1.0
CB B:ILE186 4.5 19.5 1.0
OE2 B:GLU152 4.6 76.2 1.0
CB B:ARG216 4.7 18.9 1.0
O B:ARG187 4.8 19.6 1.0
CZ B:ARG216 4.9 69.8 1.0
C B:ARG187 4.9 19.6 1.0
CD1 B:ILE186 4.9 20.8 1.0

Chlorine binding site 3 out of 12 in 4qfu

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Chlorine binding site 3 out of 12 in the Crystal Structure of A Glycoside Hydrolase Family 5 (BVU_2644) From Bacteroides Vulgatus Atcc 8482 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 Glycoside Hydrolase Family 5 (BVU_2644) From Bacteroides Vulgatus Atcc 8482 at 1.90 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl503

b:42.6
occ:1.00
 N C:ARG187 3.2 21.0 1.0
ND2 C:ASN190 3.2 36.2 1.0
CG C:ARG187 3.6 23.2 1.0
CB C:ARG187 3.7 21.6 1.0
CG1 C:ILE186 3.7 23.5 1.0
CA C:ILE186 4.0 19.1 1.0
CA C:ARG187 4.0 21.9 1.0
CD C:ARG187 4.1 23.9 1.0
CB C:ASN190 4.1 25.9 1.0
C C:ILE186 4.1 23.2 1.0
CG C:ASN190 4.1 41.9 1.0
CD C:ARG216 4.4 40.2 1.0
CB C:ILE186 4.5 22.3 1.0
OE2 C:GLU152 4.5 74.3 1.0
CG C:ARG216 4.6 31.7 1.0
O C:HOH1148 4.6 58.0 1.0
CB C:ARG216 4.7 23.0 1.0
CD1 C:ILE186 4.8 22.5 1.0
O C:ARG187 4.8 23.1 1.0
O C:ASP185 5.0 23.2 1.0
C C:ARG187 5.0 25.1 1.0
CD C:GLU152 5.0 77.2 1.0
O C:HOH1119 5.0 64.6 1.0

Chlorine binding site 4 out of 12 in 4qfu

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Chlorine binding site 4 out of 12 in the Crystal Structure of A Glycoside Hydrolase Family 5 (BVU_2644) From Bacteroides Vulgatus Atcc 8482 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 Glycoside Hydrolase Family 5 (BVU_2644) From Bacteroides Vulgatus Atcc 8482 at 1.90 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl503

b:38.6
occ:1.00
 ND2 D:ASN190 3.1 26.0 1.0
N D:ARG187 3.2 18.0 1.0
CG D:ARG187 3.6 23.4 1.0
CG1 D:ILE186 3.6 20.0 1.0
CB D:ARG187 3.7 19.9 1.0
CA D:ILE186 3.9 16.7 1.0
CB D:ASN190 4.0 20.9 1.0
CA D:ARG187 4.0 18.2 1.0
C D:ILE186 4.0 20.2 1.0
CG D:ASN190 4.0 29.3 1.0
CD D:ARG187 4.1 27.1 1.0
CD D:ARG216 4.4 44.8 1.0
CB D:ILE186 4.4 18.8 1.0
OE2 D:GLU152 4.4 75.7 1.0
NE D:ARG216 4.5 63.9 1.0
O D:HOH1045 4.6 73.5 1.0
CG D:ARG216 4.7 34.8 1.0
O D:ARG187 4.7 20.3 1.0
CD1 D:ILE186 4.8 21.9 1.0
CB D:ARG216 4.8 23.3 1.0
O D:HOH1040 4.8 46.4 1.0
CD D:GLU152 4.9 79.5 1.0
O D:HOH814 4.9 35.2 1.0
C D:ARG187 4.9 20.9 1.0
OE1 D:GLU152 5.0 82.0 1.0

Chlorine binding site 5 out of 12 in 4qfu

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Chlorine binding site 5 out of 12 in the Crystal Structure of A Glycoside Hydrolase Family 5 (BVU_2644) From Bacteroides Vulgatus Atcc 8482 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 Glycoside Hydrolase Family 5 (BVU_2644) From Bacteroides Vulgatus Atcc 8482 at 1.90 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl505

b:41.0
occ:1.00
 N E:ARG187 3.1 25.1 1.0
O E:HOH996 3.2 61.1 1.0
ND2 E:ASN190 3.2 39.1 1.0
CG E:ARG187 3.5 27.4 1.0
CB E:ARG187 3.6 27.0 1.0
CG1 E:ILE186 3.7 23.6 1.0
CD E:ARG187 3.9 37.6 1.0
CA E:ARG187 3.9 26.6 1.0
CB E:ASN190 3.9 30.9 1.0
CA E:ILE186 4.0 19.7 1.0
C E:ILE186 4.0 25.4 1.0
CG E:ASN190 4.1 47.9 1.0
O E:HOH921 4.2 52.8 1.0
CB E:ILE186 4.5 22.2 1.0
OE2 E:GLU152 4.5 89.9 1.0
CD E:ARG216 4.5 53.9 1.0
CG E:ARG216 4.6 40.6 1.0
O E:ARG187 4.7 28.2 1.0
CB E:ARG216 4.8 28.4 1.0
CD1 E:ILE186 4.8 26.8 1.0
C E:ARG187 4.9 29.6 1.0

Chlorine binding site 6 out of 12 in 4qfu

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Chlorine binding site 6 out of 12 in the Crystal Structure of A Glycoside Hydrolase Family 5 (BVU_2644) From Bacteroides Vulgatus Atcc 8482 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 6 of Crystal Structure of A Glycoside Hydrolase Family 5 (BVU_2644) From Bacteroides Vulgatus Atcc 8482 at 1.90 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl504

b:39.7
occ:1.00
 N F:ARG187 3.1 18.6 1.0
NH2 F:ARG216 3.2 79.4 1.0
NE F:ARG216 3.2 74.4 1.0
ND2 F:ASN190 3.3 22.8 1.0
CG F:ARG187 3.6 24.2 1.0
CB F:ARG187 3.6 22.4 1.0
CZ F:ARG216 3.7 92.5 1.0
CG1 F:ILE186 3.7 23.4 1.0
CA F:ARG187 4.0 20.0 1.0
CA F:ILE186 4.0 20.3 1.0
CB F:ASN190 4.0 22.8 1.0
CD F:ARG187 4.0 29.8 1.0
C F:ILE186 4.0 21.8 1.0
CG F:ASN190 4.1 29.6 1.0
CD F:ARG216 4.4 48.3 1.0
CB F:ILE186 4.5 23.0 1.0
O F:HOH801 4.5 37.9 1.0
OE2 F:GLU152 4.5 76.2 1.0
CG F:ARG216 4.5 33.0 1.0
O F:ARG187 4.7 24.6 1.0
CB F:ARG216 4.7 25.0 1.0
CD1 F:ILE186 4.8 23.7 1.0
C F:ARG187 4.9 23.6 1.0

Chlorine binding site 7 out of 12 in 4qfu

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Chlorine binding site 7 out of 12 in the Crystal Structure of A Glycoside Hydrolase Family 5 (BVU_2644) From Bacteroides Vulgatus Atcc 8482 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 7 of Crystal Structure of A Glycoside Hydrolase Family 5 (BVU_2644) From Bacteroides Vulgatus Atcc 8482 at 1.90 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl504

b:41.0
occ:1.00
 N G:ARG187 3.1 23.3 1.0
ND2 G:ASN190 3.3 29.3 1.0
CG G:ARG187 3.5 23.0 1.0
CB G:ARG187 3.6 23.1 1.0
CG1 G:ILE186 3.7 24.6 1.0
NE G:ARG216 3.8 51.3 0.5
CA G:ILE186 3.9 21.1 1.0
CA G:ARG187 4.0 23.9 1.0
CD G:ARG187 4.0 27.2 1.0
C G:ILE186 4.0 25.4 1.0
CB G:ASN190 4.1 21.8 1.0
NH2 G:ARG216 4.2 47.7 0.5
CG G:ASN190 4.2 38.7 1.0
CD G:ARG216 4.4 41.2 0.5
NE G:ARG216 4.4 49.0 0.5
CB G:ILE186 4.4 23.9 1.0
CZ G:ARG216 4.5 61.5 0.5
OE2 G:GLU152 4.5 76.2 1.0
CG G:ARG216 4.6 35.0 0.5
CG G:ARG216 4.6 33.4 0.5
CB G:ARG216 4.7 24.6 0.5
CB G:ARG216 4.7 23.9 0.5
CD G:ARG216 4.8 44.0 0.5
O G:HOH832 4.8 48.9 1.0
O G:ARG187 4.8 24.4 1.0
CD1 G:ILE186 4.8 28.4 1.0
O G:HOH929 4.9 48.6 1.0
C G:ARG187 4.9 27.2 1.0
CD G:GLU152 5.0 77.6 1.0

Chlorine binding site 8 out of 12 in 4qfu

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Chlorine binding site 8 out of 12 in the Crystal Structure of A Glycoside Hydrolase Family 5 (BVU_2644) From Bacteroides Vulgatus Atcc 8482 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 8 of Crystal Structure of A Glycoside Hydrolase Family 5 (BVU_2644) From Bacteroides Vulgatus Atcc 8482 at 1.90 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl503

b:52.5
occ:1.00
 N H:ARG187 3.1 22.7 1.0
ND2 H:ASN190 3.3 31.4 1.0
CG H:ARG187 3.6 30.9 1.0
CB H:ARG187 3.6 24.4 1.0
CG1 H:ILE186 3.6 26.2 1.0
CA H:ARG187 3.9 23.9 1.0
CA H:ILE186 4.0 22.5 1.0
C H:ILE186 4.0 25.8 1.0
CB H:ASN190 4.0 28.2 1.0
CD H:ARG187 4.1 36.5 1.0
CG H:ASN190 4.1 45.2 1.0
CD H:ARG216 4.4 47.7 1.0
CB H:ILE186 4.4 25.9 1.0
CG H:ARG216 4.5 37.4 1.0
OE2 H:GLU152 4.6 64.5 1.0
CB H:ARG216 4.7 25.2 1.0
O H:ARG187 4.7 29.6 1.0
CD1 H:ILE186 4.8 31.0 1.0
C H:ARG187 4.9 29.5 1.0

Chlorine binding site 9 out of 12 in 4qfu

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Chlorine binding site 9 out of 12 in the Crystal Structure of A Glycoside Hydrolase Family 5 (BVU_2644) From Bacteroides Vulgatus Atcc 8482 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 9 of Crystal Structure of A Glycoside Hydrolase Family 5 (BVU_2644) From Bacteroides Vulgatus Atcc 8482 at 1.90 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Cl503

b:48.6
occ:1.00
 N I:ARG187 3.1 26.5 1.0
ND2 I:ASN190 3.2 36.0 1.0
CG I:ARG187 3.6 30.7 1.0
CB I:ARG187 3.6 28.0 1.0
CG1 I:ILE186 3.7 27.4 1.0
CA I:ILE186 3.9 22.4 1.0
CA I:ARG187 3.9 28.8 1.0
C I:ILE186 4.0 27.4 1.0
CB I:ASN190 4.0 31.5 1.0
CD I:ARG187 4.0 32.7 1.0
CG I:ASN190 4.1 44.1 1.0
CD I:ARG216 4.3 47.0 1.0
CB I:ILE186 4.4 25.8 1.0
CG I:ARG216 4.5 42.0 1.0
OE2 I:GLU152 4.6 71.4 1.0
CB I:ARG216 4.6 32.2 1.0
O I:ARG187 4.8 33.9 1.0
CD1 I:ILE186 4.9 30.9 1.0
O I:HOH897 4.9 43.0 1.0
C I:ARG187 4.9 33.9 1.0
O I:ASP185 5.0 21.1 1.0

Chlorine binding site 10 out of 12 in 4qfu

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Chlorine binding site 10 out of 12 in the Crystal Structure of A Glycoside Hydrolase Family 5 (BVU_2644) From Bacteroides Vulgatus Atcc 8482 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 10 of Crystal Structure of A Glycoside Hydrolase Family 5 (BVU_2644) From Bacteroides Vulgatus Atcc 8482 at 1.90 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Cl503

b:52.2
occ:1.00
 ND2 J:ASN190 3.1 40.5 1.0
N J:ARG187 3.2 29.1 1.0
O J:HOH1033 3.5 62.2 1.0
CG J:ARG187 3.7 32.4 1.0
CB J:ARG187 3.7 29.8 1.0
CG1 J:ILE186 3.7 32.9 1.0
CD J:ARG216 3.9 51.5 0.5
CA J:ILE186 4.0 28.8 1.0
CB J:ASN190 4.0 34.2 1.0
CA J:ARG187 4.1 29.4 1.0
CG J:ASN190 4.1 47.7 1.0
CD J:ARG187 4.1 36.5 1.0
C J:ILE186 4.1 31.6 1.0
NE J:ARG216 4.3 61.4 0.5
CD J:ARG216 4.3 59.0 0.5
NH1 J:ARG216 4.3 64.6 0.5
OE2 J:GLU152 4.4 83.1 1.0
CZ J:ARG216 4.5 78.4 0.5
CB J:ILE186 4.5 31.7 1.0
CG J:ARG216 4.5 40.6 0.5
O J:HOH1020 4.6 47.2 1.0
CG J:ARG216 4.7 43.6 0.5
CB J:ARG216 4.8 30.3 0.5
CB J:ARG216 4.8 29.6 0.5
CD1 J:ILE186 4.8 36.2 1.0
O J:ARG187 4.8 31.9 1.0
CD J:GLU152 4.9 84.6 1.0
O J:HOH954 5.0 46.5 1.0
C J:ARG187 5.0 31.9 1.0
OE1 J:GLU152 5.0 87.3 1.0

Reference:

Joint Center For Structural Genomics (Jcsg), Joint Center For Structural Genomics (Jcsg). N/A N/A.
Page generated: Fri Jul 26 00:27:09 2024

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