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

Go back to Chlorine Binding Sites List in 4pw0
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

Go back to Chlorine Binding Sites List in 4pw0
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

Go back to Chlorine Binding Sites List in 4pw0
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

Go back to Chlorine Binding Sites List in 4pw0
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

Go back to Chlorine Binding Sites List in 4pw0
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: Sat Dec 12 11:04:07 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy