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Chlorine in PDB 8qcl: A Carbohydrate Esterase Family 15 (CE15) Glucuronoyl Esterase From Phocaeicola Vulgatus Atcc 8482

Protein crystallography data

The structure of A Carbohydrate Esterase Family 15 (CE15) Glucuronoyl Esterase From Phocaeicola Vulgatus Atcc 8482, PDB code: 8qcl was solved by S.Banerjee, J.N.Poulsen, S.Mazurkewich, A.Seveso, J.Larsbrink, L.Lo Leggio, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.93 / 1.84
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 74.282, 59.525, 87.452, 90, 101.55, 90
R / Rfree (%) 17.2 / 23.6

Chlorine Binding Sites:

The binding sites of Chlorine atom in the A Carbohydrate Esterase Family 15 (CE15) Glucuronoyl Esterase From Phocaeicola Vulgatus Atcc 8482 (pdb code 8qcl). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the A Carbohydrate Esterase Family 15 (CE15) Glucuronoyl Esterase From Phocaeicola Vulgatus Atcc 8482, PDB code: 8qcl:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 8qcl

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Chlorine binding site 1 out of 7 in the A Carbohydrate Esterase Family 15 (CE15) Glucuronoyl Esterase From Phocaeicola Vulgatus Atcc 8482


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of A Carbohydrate Esterase Family 15 (CE15) Glucuronoyl Esterase From Phocaeicola Vulgatus Atcc 8482 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl503

b:76.7
occ:1.00
 O A:ASN149 2.8 19.8 1.0
O A:TYR153 3.2 19.2 1.0
CD1 A:LEU158 3.2 52.8 1.0
N A:TYR153 3.4 18.4 1.0
OH A:TYR129 3.4 21.0 1.0
NE2 A:GLN127 3.5 27.2 1.0
O A:TYR150 3.6 22.8 1.0
CA A:TYR150 3.6 22.1 1.0
C A:TYR150 3.7 20.9 1.0
OE1 A:GLN127 3.8 35.8 1.0
C A:ASN149 3.8 19.8 1.0
CB A:ILE152 3.9 18.7 1.0
N A:ILE152 4.0 17.0 1.0
C A:TYR153 4.0 21.3 1.0
CD A:GLN127 4.0 28.1 1.0
CA A:TYR153 4.0 20.5 1.0
CB A:TYR153 4.1 20.9 1.0
N A:TYR150 4.2 20.0 1.0
C A:ILE152 4.2 18.7 1.0
CA A:ILE152 4.3 18.1 1.0
CB A:ASP155 4.3 32.2 1.0
CZ A:TYR129 4.4 18.1 1.0
CE2 A:TYR129 4.4 17.8 1.0
N A:THR151 4.5 19.2 1.0
CG A:LEU158 4.7 51.2 1.0
CG2 A:ILE152 4.7 18.9 1.0
CG1 A:ILE152 4.8 19.7 1.0
CB A:TYR150 4.9 24.0 1.0
C A:THR151 4.9 17.0 1.0
N A:ASP155 5.0 30.9 1.0

Chlorine binding site 2 out of 7 in 8qcl

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Chlorine binding site 2 out of 7 in the A Carbohydrate Esterase Family 15 (CE15) Glucuronoyl Esterase From Phocaeicola Vulgatus Atcc 8482


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of A Carbohydrate Esterase Family 15 (CE15) Glucuronoyl Esterase From Phocaeicola Vulgatus Atcc 8482 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl504

b:62.1
occ:1.00
 N A:GLY378 3.3 32.5 1.0
CD2 A:LEU377 3.8 32.0 1.0
CD A:PRO396 4.0 22.2 1.0
CA A:LEU377 4.0 31.0 1.0
CA A:GLY378 4.1 32.9 1.0
C A:LEU377 4.1 31.5 1.0
CB A:LEU377 4.3 31.2 1.0
O A:ASN394 4.4 28.6 1.0
CA A:GLY395 4.6 23.3 1.0
CG A:LEU377 4.7 34.0 1.0
N A:PRO396 4.7 22.3 1.0
C A:GLY395 4.9 22.2 1.0
CG A:PRO396 4.9 21.8 1.0

Chlorine binding site 3 out of 7 in 8qcl

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Chlorine binding site 3 out of 7 in the A Carbohydrate Esterase Family 15 (CE15) Glucuronoyl Esterase From Phocaeicola Vulgatus Atcc 8482


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of A Carbohydrate Esterase Family 15 (CE15) Glucuronoyl Esterase From Phocaeicola Vulgatus Atcc 8482 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl505

b:28.8
occ:1.00
 O A:HOH753 3.0 3.0 0.5
NE1 A:TRP181 3.2 18.7 1.0
N A:PHE146 3.3 18.2 1.0
CB A:SER145 3.6 16.4 1.0
CE A:MET177 3.6 32.3 1.0
CA A:SER145 3.7 15.8 1.0
CZ2 A:TRP181 3.9 18.0 1.0
CD2 A:PHE146 3.9 21.3 1.0
CE2 A:TRP181 3.9 18.2 1.0
CB A:PHE146 4.0 19.8 1.0
C A:SER145 4.1 16.9 1.0
O A:HOH753 4.2 10.6 0.5
CA A:PHE146 4.3 19.5 1.0
CG A:MET177 4.3 28.3 1.0
CD1 A:TRP181 4.4 17.9 1.0
CG A:PHE146 4.5 20.3 1.0
O A:HOH645 4.5 20.2 1.0
CB A:MET177 4.6 27.1 1.0
N A:MET147 4.6 21.0 1.0
OG A:SER145 4.8 17.5 1.0
SD A:MET177 4.8 30.8 1.0
CE2 A:PHE146 4.9 20.4 1.0
C A:PHE146 5.0 20.2 1.0

Chlorine binding site 4 out of 7 in 8qcl

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Chlorine binding site 4 out of 7 in the A Carbohydrate Esterase Family 15 (CE15) Glucuronoyl Esterase From Phocaeicola Vulgatus Atcc 8482


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of A Carbohydrate Esterase Family 15 (CE15) Glucuronoyl Esterase From Phocaeicola Vulgatus Atcc 8482 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl503

b:77.5
occ:1.00
 O B:PRO122 2.6 33.8 1.0
OG1 B:THR116 2.8 45.7 1.0
N B:THR116 3.0 37.5 1.0
O B:ASP118 3.1 73.3 1.0
N B:LEU115 3.2 34.6 1.0
OE1 B:GLN114 3.3 57.6 1.0
C B:GLY121 3.5 50.1 1.0
O B:THR116 3.5 44.9 1.0
O B:GLY121 3.6 43.9 1.0
C B:PRO122 3.6 36.2 1.0
CB B:THR116 3.7 40.2 1.0
CA B:THR116 3.7 41.7 1.0
CB B:GLN114 3.7 42.2 1.0
CA B:GLN114 3.8 39.4 1.0
N B:PRO122 3.8 43.6 1.0
CD B:GLN114 3.9 53.1 1.0
CA B:GLY121 3.9 53.7 1.0
C B:THR116 3.9 47.7 1.0
C B:GLN114 3.9 37.0 1.0
C B:LEU115 3.9 37.2 1.0
CG2 B:THR116 4.0 39.0 1.0
CA B:LEU115 4.1 35.0 1.0
N B:GLY121 4.3 60.0 1.0
C B:ASP118 4.3 69.2 1.0
CA B:PRO122 4.3 39.6 1.0
CG B:GLN114 4.3 47.9 1.0
CD B:PRO122 4.4 42.9 1.0
CB B:LEU115 4.5 34.5 1.0
N B:HIS123 4.6 32.8 1.0
NE2 B:GLN114 4.7 56.5 1.0
O B:HOH629 4.7 46.5 1.0
N B:ASP118 4.8 65.6 1.0
CG B:PRO122 4.9 42.3 1.0
CA B:HIS123 4.9 31.9 1.0

Chlorine binding site 5 out of 7 in 8qcl

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Chlorine binding site 5 out of 7 in the A Carbohydrate Esterase Family 15 (CE15) Glucuronoyl Esterase From Phocaeicola Vulgatus Atcc 8482


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of A Carbohydrate Esterase Family 15 (CE15) Glucuronoyl Esterase From Phocaeicola Vulgatus Atcc 8482 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl504

b:72.5
occ:1.00
 O B:HOH642 2.8 23.1 1.0
CA B:GLY317 3.2 16.5 1.0
N B:GLY317 3.3 17.5 1.0
O A:HOH730 3.3 30.9 1.0
NH1 A:ARG325 3.4 23.9 1.0
CE2 B:PHE224 3.8 41.8 1.0
O B:HOH628 3.9 23.8 1.0
CZ B:PHE224 3.9 40.4 1.0
C B:CYS316 4.1 19.1 1.0
CE B:LYS320 4.3 25.6 1.0
NZ B:LYS320 4.4 26.8 1.0
O A:HOH668 4.5 22.5 1.0
CZ A:ARG325 4.5 21.8 1.0
CE2 B:PHE209 4.6 33.9 1.0
O B:PRO312 4.6 17.0 1.0
O B:PHE315 4.6 17.4 1.0
O B:CYS316 4.7 17.3 1.0
CD B:LYS320 4.7 25.2 1.0
C B:GLY317 4.7 15.9 1.0
CA B:CYS316 4.9 19.3 1.0

Chlorine binding site 6 out of 7 in 8qcl

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Chlorine binding site 6 out of 7 in the A Carbohydrate Esterase Family 15 (CE15) Glucuronoyl Esterase From Phocaeicola Vulgatus Atcc 8482


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of A Carbohydrate Esterase Family 15 (CE15) Glucuronoyl Esterase From Phocaeicola Vulgatus Atcc 8482 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl505

b:32.0
occ:1.00
 O B:HOH706 3.0 35.1 1.0
NZ B:LYS327 3.3 36.5 1.0
CD B:LYS327 3.3 38.1 1.0
N B:THR44 3.5 27.1 1.0
NE B:ARG297 3.5 18.2 1.0
O B:THR44 3.6 25.2 1.0
CA B:TYR43 3.7 23.9 1.0
CD B:ARG297 3.7 18.1 1.0
CB B:TYR43 3.8 22.4 1.0
CE B:LYS327 3.8 37.9 1.0
C B:TYR43 4.1 25.3 1.0
CG B:ARG297 4.2 17.9 1.0
CA B:LYS327 4.3 26.1 1.0
O B:LYS327 4.4 23.2 1.0
C B:THR44 4.4 26.5 1.0
CA B:THR44 4.4 28.8 1.0
CG B:LYS327 4.5 35.4 1.0
CZ B:ARG297 4.6 17.8 1.0
CB B:THR44 4.7 32.3 1.0
C B:LYS327 4.9 23.4 1.0
CB B:LYS327 4.9 31.0 1.0
NH2 B:ARG297 5.0 17.7 1.0
O B:GLN42 5.0 22.9 1.0

Chlorine binding site 7 out of 7 in 8qcl

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Chlorine binding site 7 out of 7 in the A Carbohydrate Esterase Family 15 (CE15) Glucuronoyl Esterase From Phocaeicola Vulgatus Atcc 8482


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of A Carbohydrate Esterase Family 15 (CE15) Glucuronoyl Esterase From Phocaeicola Vulgatus Atcc 8482 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl506

b:49.6
occ:1.00
 O B:LYS82 3.4 23.0 1.0
N B:PRO84 3.5 29.1 1.0
C B:ALA83 3.5 28.1 1.0
NE2 B:GLN229 3.7 21.3 1.0
CD B:PRO84 3.9 29.3 1.0
O B:ALA83 3.9 29.2 1.0
C B:LYS82 3.9 24.2 1.0
CA B:ALA83 4.0 26.3 1.0
CA B:PRO84 4.0 29.6 1.0
CG B:GLN229 4.1 19.8 1.0
CG B:PRO84 4.1 29.0 1.0
CD B:GLN229 4.2 20.7 1.0
N B:ALA83 4.2 24.0 1.0
NE1 B:TRP230 4.4 19.3 1.0
CB B:LYS82 4.5 25.7 1.0
CD1 B:TRP230 4.5 19.6 1.0
CB B:PRO84 4.6 28.4 1.0
CB B:GLN229 4.7 19.3 1.0
CE2 B:TRP230 4.8 18.8 1.0
CA B:LYS82 4.9 24.4 1.0
O B:HOH694 5.0 33.2 1.0
CG B:TRP230 5.0 18.0 1.0

Reference:

S.Banerjee, J.N.Poulsen, S.Mazurkewich, A.Seveso, J.Larsbrink, L.Lo Leggio. A Carbohydrate Esterase Family 15 (CE15) Glucuronoyl Esterase From Phocaeicola Vulgatus Atcc 8482 To Be Published.
Page generated: Thu Dec 28 03:27:15 2023

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