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Chlorine in PDB 4pw0: Alpha/Beta Hydrolase Fold Protein From Chitinophaga Pinensis

Protein crystallography data

The structure of Alpha/Beta Hydrolase Fold Protein From Chitinophaga Pinensis, PDB code: 4pw0 was solved by J.Osipiuk, C.Tesar, S.Clancy, A.Joachimiak, Midwest Center For Structuralgenomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 37.20 / 1.48
Space group P 62
Cell size a, b, c (Å), α, β, γ (°) 110.380, 110.380, 59.184, 90.00, 90.00, 120.00
R / Rfree (%) 10.3 / 13.3

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Alpha/Beta Hydrolase Fold Protein From Chitinophaga Pinensis (pdb code 4pw0). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Alpha/Beta Hydrolase Fold Protein From Chitinophaga Pinensis, PDB code: 4pw0:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 4pw0

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Chlorine binding site 1 out of 6 in the Alpha/Beta Hydrolase Fold Protein From Chitinophaga Pinensis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Alpha/Beta Hydrolase Fold Protein From Chitinophaga Pinensis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:17.1
occ:1.00
 OG A:SER107 3.1 17.0 1.0
NE2 A:HIS259 3.1 14.7 1.0
O A:HOH706 3.3 28.2 1.0
N A:PHE42 3.5 19.0 1.0
CB A:HIS41 3.6 16.2 1.0
CB A:PHE42 3.6 19.1 1.0
CB A:SER107 3.6 15.4 1.0
ND1 A:HIS41 3.8 17.9 1.0
CD2 A:HIS259 3.8 15.4 1.0
CE A:MSE233 4.0 19.1 1.0
CG A:HIS41 4.0 16.3 1.0
SE A:MSE233 4.0 16.8 0.7
CA A:PHE42 4.1 18.0 1.0
CE1 A:PHE163 4.1 15.3 1.0
CE1 A:HIS259 4.1 14.5 1.0
O A:PHE42 4.2 18.0 1.0
CZ A:PHE163 4.2 16.0 1.0
C A:HIS41 4.4 18.7 1.0
CA A:HIS41 4.4 15.1 1.0
C A:PHE42 4.7 18.1 1.0
CG A:PHE42 4.8 18.8 1.0
CG2 A:ILE162 4.8 17.9 1.0
CE1 A:HIS41 4.8 18.4 1.0
CD2 A:PHE42 4.9 19.9 1.0

Chlorine binding site 2 out of 6 in 4pw0

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Chlorine binding site 2 out of 6 in the Alpha/Beta Hydrolase Fold Protein From Chitinophaga Pinensis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Alpha/Beta Hydrolase Fold Protein From Chitinophaga Pinensis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:34.5
occ:0.80
 O A:HOH746 2.8 55.2 1.0
O A:HOH492 2.9 33.6 1.0
N A:THR77 3.2 23.1 1.0
O A:HOH547 3.3 55.7 1.0
CA A:GLY76 3.6 23.1 1.0
CB A:THR77 3.8 24.8 1.0
OG1 A:THR77 3.9 30.4 1.0
C A:GLY76 3.9 22.0 1.0
CA A:THR77 4.1 23.3 1.0
CD A:LYS69 4.1 23.2 1.0
O A:THR77 4.3 21.9 1.0
O A:HOH672 4.3 47.7 1.0
O A:HOH402 4.5 25.0 1.0
C A:THR77 4.7 22.4 1.0
NZ A:LYS69 4.7 29.3 1.0
CE A:LYS69 4.7 26.2 1.0
CG A:LYS69 4.7 21.9 1.0
O A:HOH615 4.8 49.6 1.0
OG1 A:THR21 4.8 27.6 1.0
N A:GLY76 5.0 23.7 1.0
O A:HOH584 5.0 33.1 1.0

Chlorine binding site 3 out of 6 in 4pw0

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Chlorine binding site 3 out of 6 in the Alpha/Beta Hydrolase Fold Protein From Chitinophaga Pinensis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Alpha/Beta Hydrolase Fold Protein From Chitinophaga Pinensis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl303

b:39.5
occ:0.80
 N A:GLU215 3.1 25.2 1.0
O A:HOH752 3.3 61.4 1.0
O A:HOH680 3.3 51.0 1.0
CA A:PHE214 3.7 23.6 1.0
CB A:GLU215 3.8 28.9 1.0
OG A:SER218 3.8 26.5 1.0
CB A:PHE214 3.8 26.8 1.0
C A:PHE214 3.9 22.9 1.0
CG A:GLU215 4.0 34.1 1.0
CE1 A:HIS118 4.0 30.8 1.0
CA A:GLU215 4.1 25.7 1.0
CB A:SER218 4.3 24.6 1.0
O A:HOH570 4.4 51.9 1.0
O A:GLU215 4.5 24.5 1.0
ND1 A:HIS118 4.5 26.5 1.0
O A:HOH541 4.8 31.4 1.0
C A:GLU215 4.8 23.4 1.0
NE2 A:HIS118 4.9 28.2 1.0
O A:HOH636 5.0 50.6 1.0

Chlorine binding site 4 out of 6 in 4pw0

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Chlorine binding site 4 out of 6 in the Alpha/Beta Hydrolase Fold Protein From Chitinophaga Pinensis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Alpha/Beta Hydrolase Fold Protein From Chitinophaga Pinensis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl304

b:40.6
occ:0.80
 N A:ASP122 3.0 23.9 1.0
OE1 A:GLN120 3.1 33.5 1.0
O A:HOH686 3.2 62.7 1.0
CB A:ASP122 3.3 28.7 1.0
C A:GLN120 3.4 21.2 1.0
N A:PRO121 3.4 23.0 1.0
CD A:PRO121 3.5 24.3 1.0
CA A:GLN120 3.5 22.2 1.0
CA A:ASP122 3.6 24.8 1.0
CG A:ASP122 3.7 34.5 1.0
CG A:PRO121 3.9 23.3 1.0
O A:GLN120 3.9 22.5 1.0
OD2 A:ASP122 3.9 40.5 1.0
CD A:GLN120 4.0 33.2 1.0
C A:PRO121 4.0 22.1 1.0
CA A:PRO121 4.2 21.8 1.0
CB A:GLN120 4.2 23.7 1.0
N A:MSE123 4.2 22.9 1.0
C A:ASP122 4.3 23.8 1.0
OD1 A:ASP122 4.4 36.6 1.0
O A:ILE119 4.6 26.6 1.0
N A:GLN120 4.6 22.0 1.0
CB A:PRO121 4.7 22.3 1.0
CG A:GLN120 4.7 27.7 1.0
NE2 A:GLN120 4.8 41.3 1.0
CG A:MSE123 4.8 26.6 1.0

Chlorine binding site 5 out of 6 in 4pw0

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Chlorine binding site 5 out of 6 in the Alpha/Beta Hydrolase Fold Protein From Chitinophaga Pinensis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Alpha/Beta Hydrolase Fold Protein From Chitinophaga Pinensis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl305

b:21.4
occ:1.00
 O A:HOH768 3.0 54.5 1.0
N A:GLU267 3.3 15.3 1.0
O A:HOH458 3.3 25.2 1.0
CA A:TYR265 3.4 15.5 1.0
C A:TYR265 3.4 15.2 1.0
N A:PRO266 3.5 14.9 1.0
N A:LEU268 3.6 16.3 1.0
CB A:GLU267 3.6 19.4 0.4
CB A:GLU267 3.7 20.0 0.6
CD A:PRO266 3.7 15.6 1.0
CA A:GLU267 3.9 16.4 0.4
CA A:GLU267 3.9 16.4 0.6
CB A:TYR265 3.9 16.4 1.0
O A:TYR265 3.9 16.0 1.0
C A:PRO266 4.2 15.3 1.0
C A:GLU267 4.2 16.5 1.0
CG A:GLU267 4.3 23.3 0.4
CG A:PRO266 4.3 17.1 1.0
CG A:GLU267 4.4 24.8 0.6
CD1 A:TYR265 4.4 17.4 1.0
CA A:PRO266 4.4 15.6 1.0
CB A:LEU268 4.5 15.4 1.0
O A:GLN264 4.6 16.8 1.0
N A:TYR265 4.6 15.3 1.0
CA A:LEU268 4.7 15.6 1.0
CG A:TYR265 4.7 15.2 1.0
OE1 A:GLU267 5.0 38.2 0.6

Chlorine binding site 6 out of 6 in 4pw0

Go back to Chlorine Binding Sites List in 4pw0
Chlorine binding site 6 out of 6 in the Alpha/Beta Hydrolase Fold Protein From Chitinophaga Pinensis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Alpha/Beta Hydrolase Fold Protein From Chitinophaga Pinensis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl306

b:25.6
occ:1.00
 O A:HOH418 3.2 16.7 1.0
N A:LYS138 3.3 17.4 1.0
O A:HOH618 3.4 67.0 1.0
O A:HOH743 3.4 45.0 1.0
O A:HOH738 3.6 46.9 1.0
CG A:LYS138 3.6 31.9 0.6
CA A:VAL137 3.8 18.2 1.0
CB A:LYS138 4.0 21.2 0.6
CB A:LYS138 4.0 20.5 0.4
C A:VAL137 4.0 17.2 1.0
CG A:LYS138 4.1 25.7 0.4
CB A:VAL137 4.1 17.6 1.0
CA A:LYS138 4.2 17.9 0.4
CA A:LYS138 4.2 18.4 0.6
CG1 A:VAL137 4.2 17.6 1.0
OD1 A:ASN238 4.6 17.7 1.0
CE A:LYS138 4.7 36.5 0.4
O A:GLY136 4.7 20.7 1.0
CD A:LYS138 4.7 37.2 0.6
CD A:LYS138 4.9 34.2 0.4
O A:HOH523 4.9 40.1 1.0
N A:VAL137 4.9 17.4 1.0
O A:HOH494 5.0 24.0 1.0

Reference:

J.Osipiuk, C.Tesar, S.Clancy, A.Joachimiak. Alpha/Beta Hydrolase Fold Protein From Chitinophaga Pinensis. To Be Published.
Page generated: Fri Jul 26 00:10:28 2024

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