Atomistry » Chlorine » PDB 3ck1-3csv » 3ck1
Atomistry »
  Chlorine »
    PDB 3ck1-3csv »
      3ck1 »

Chlorine in PDB 3ck1: Crystal Structure of A Putative Thioesterase (REUT_A2179) From Ralstonia Eutropha JMP134 at 1.74 A Resolution

Protein crystallography data

The structure of Crystal Structure of A Putative Thioesterase (REUT_A2179) From Ralstonia Eutropha JMP134 at 1.74 A Resolution, PDB code: 3ck1 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) 29.30 / 1.74
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 77.067, 77.067, 242.859, 90.00, 90.00, 120.00
R / Rfree (%) 17.4 / 19.6

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 13;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of A Putative Thioesterase (REUT_A2179) From Ralstonia Eutropha JMP134 at 1.74 A Resolution (pdb code 3ck1). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 13 binding sites of Chlorine where determined in the Crystal Structure of A Putative Thioesterase (REUT_A2179) From Ralstonia Eutropha JMP134 at 1.74 A Resolution, PDB code: 3ck1:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 13 in 3ck1

Go back to Chlorine Binding Sites List in 3ck1
Chlorine binding site 1 out of 13 in the Crystal Structure of A Putative Thioesterase (REUT_A2179) From Ralstonia Eutropha JMP134 at 1.74 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 Putative Thioesterase (REUT_A2179) From Ralstonia Eutropha JMP134 at 1.74 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl150

b:27.9
occ:1.00
 O A:HOH235 3.1 33.8 1.0
O A:HOH261 3.1 40.4 1.0
O A:HOH172 3.2 22.3 1.0
N A:THR76 3.2 17.7 1.0
O A:HOH204 3.3 31.9 1.0
CB A:PRO100 3.6 21.3 1.0
CG A:PRO100 3.7 22.2 1.0
CA A:GLU75 3.8 16.2 1.0
C A:GLU75 4.0 18.1 1.0
O A:GLY74 4.1 17.9 1.0
CB A:THR76 4.2 19.1 1.0
CA A:THR76 4.2 17.7 1.0
OG1 A:THR76 4.3 22.2 1.0
CB A:GLU75 4.5 17.2 1.0
O A:THR76 4.5 17.7 1.0
CD A:PRO100 4.7 18.4 1.0
N A:GLU75 4.8 18.0 1.0
C A:THR76 4.9 20.0 1.0
C A:GLY74 4.9 17.7 1.0
CG A:GLU75 4.9 19.3 1.0

Chlorine binding site 2 out of 13 in 3ck1

Go back to Chlorine Binding Sites List in 3ck1
Chlorine binding site 2 out of 13 in the Crystal Structure of A Putative Thioesterase (REUT_A2179) From Ralstonia Eutropha JMP134 at 1.74 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 Putative Thioesterase (REUT_A2179) From Ralstonia Eutropha JMP134 at 1.74 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl151

b:20.5
occ:1.00
 O A:HOH245 3.1 31.5 1.0
O A:HOH211 3.2 36.7 1.0
N A:ASP101 3.2 19.2 1.0
N A:GLY103 3.2 19.1 1.0
NH2 A:ARG105 3.3 19.3 1.0
C A:ASP101 3.6 18.3 1.0
C A:GLY99 3.6 19.9 1.0
CA A:ASP101 3.6 20.3 1.0
CA A:GLY99 3.6 17.9 1.0
CB A:ASP101 3.7 21.6 1.0
N A:SER102 3.7 19.9 1.0
N A:PRO100 3.8 17.7 1.0
CA A:GLY103 3.8 17.1 1.0
O A:HOH158 4.0 17.1 1.0
CD A:PRO100 4.0 18.4 1.0
O A:GLY99 4.1 18.5 1.0
CZ A:ARG105 4.1 18.1 1.0
NE A:ARG105 4.1 18.4 1.0
O A:ASP101 4.1 18.8 1.0
N A:GLY99 4.2 18.3 1.0
C A:PRO100 4.3 20.6 1.0
O A:GLY103 4.3 18.3 1.0
C A:SER102 4.3 19.4 1.0
O A:HOH189 4.3 26.2 1.0
CA A:SER102 4.5 21.1 1.0
CG A:ASP101 4.5 28.9 1.0
C A:GLY103 4.6 16.7 1.0
OD2 A:ASP101 4.6 33.5 1.0
CA A:PRO100 4.6 20.6 1.0
CG A:PRO100 4.7 22.2 1.0
O A:HOH228 4.8 42.2 1.0

Chlorine binding site 3 out of 13 in 3ck1

Go back to Chlorine Binding Sites List in 3ck1
Chlorine binding site 3 out of 13 in the Crystal Structure of A Putative Thioesterase (REUT_A2179) From Ralstonia Eutropha JMP134 at 1.74 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 Putative Thioesterase (REUT_A2179) From Ralstonia Eutropha JMP134 at 1.74 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl152

b:34.4
occ:1.00
 N A:GLN88 3.2 27.5 1.0
N A:SER89 3.2 23.9 1.0
N A:SER90 3.4 20.2 1.0
CA A:GLY87 3.8 24.3 1.0
CB A:SER90 3.9 21.2 1.0
CB A:SER89 3.9 24.2 1.0
C A:GLY87 3.9 24.8 1.0
CA A:SER89 3.9 21.3 1.0
CA A:GLN88 4.0 26.7 1.0
C A:GLN88 4.1 25.9 1.0
C A:SER89 4.2 20.7 1.0
CA A:SER90 4.2 17.4 1.0
CB A:GLN88 4.3 27.9 1.0
O A:SER90 4.6 19.9 1.0
O A:HOH300 4.7 52.5 1.0
N A:GLY87 4.9 20.3 1.0
C A:SER90 4.9 20.5 1.0
OG A:SER89 4.9 28.0 1.0
O A:GLY87 5.0 27.1 1.0
O A:HOH219 5.0 53.0 1.0

Chlorine binding site 4 out of 13 in 3ck1

Go back to Chlorine Binding Sites List in 3ck1
Chlorine binding site 4 out of 13 in the Crystal Structure of A Putative Thioesterase (REUT_A2179) From Ralstonia Eutropha JMP134 at 1.74 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 Putative Thioesterase (REUT_A2179) From Ralstonia Eutropha JMP134 at 1.74 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl153

b:27.6
occ:1.00
 O A:HOH196 3.0 40.5 1.0
OG1 A:THR92 3.1 20.3 1.0
OG A:SER90 3.1 30.7 1.0
O A:HOH222 3.1 49.0 1.0
N A:PHE91 3.6 19.7 1.0
CA A:PHE91 3.6 18.9 1.0
C A:PHE91 3.7 18.1 1.0
CB A:SER90 3.7 21.2 1.0
N A:THR92 3.7 17.0 1.0
C A:SER90 3.7 20.5 1.0
CD A:ARG111 3.8 23.3 1.0
O A:SER90 3.9 19.9 1.0
CG A:LYS85 4.0 36.3 1.0
CB A:LYS85 4.0 25.0 1.0
CG A:ARG111 4.1 19.7 1.0
CB A:THR92 4.1 17.4 1.0
O A:LYS85 4.2 18.4 1.0
CD A:LYS85 4.2 35.1 1.0
O A:PHE91 4.3 18.8 1.0
C A:LYS85 4.3 19.1 1.0
CA A:SER90 4.4 17.4 1.0
CA A:THR92 4.5 15.6 1.0
O A:HOH192 4.5 29.9 1.0
N A:GLY87 4.6 20.3 1.0
N A:LEU86 4.7 19.5 1.0
O A:HOH251 4.7 48.9 1.0
CA A:LYS85 4.9 24.1 1.0
CA A:LEU86 4.9 21.7 1.0

Chlorine binding site 5 out of 13 in 3ck1

Go back to Chlorine Binding Sites List in 3ck1
Chlorine binding site 5 out of 13 in the Crystal Structure of A Putative Thioesterase (REUT_A2179) From Ralstonia Eutropha JMP134 at 1.74 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 Putative Thioesterase (REUT_A2179) From Ralstonia Eutropha JMP134 at 1.74 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl150

b:26.6
occ:1.00
 O B:HOH278 2.9 45.9 1.0
OG B:SER90 2.9 28.0 1.0
O B:HOH262 3.1 40.2 1.0
OG1 B:THR92 3.1 20.3 1.0
N B:PHE91 3.6 17.3 1.0
CA B:PHE91 3.6 18.2 1.0
CB B:SER90 3.7 22.8 1.0
C B:SER90 3.7 21.3 1.0
C B:PHE91 3.7 18.8 1.0
N B:THR92 3.7 16.6 1.0
CD B:ARG111 3.8 20.5 1.0
CG B:LYS85 3.9 37.6 1.0
O B:SER90 3.9 20.5 1.0
CD B:LYS85 3.9 42.4 1.0
CG B:ARG111 4.0 18.6 1.0
O B:LYS85 4.1 17.6 1.0
CB B:THR92 4.1 17.5 1.0
CB B:LYS85 4.1 23.5 1.0
O B:PHE91 4.3 16.7 1.0
CA B:SER90 4.3 19.3 1.0
C B:LYS85 4.5 19.9 1.0
CA B:THR92 4.5 15.9 1.0
CE B:LYS85 4.5 49.1 1.0
O B:HOH260 4.6 30.4 1.0
O B:HOH277 4.6 52.3 1.0
N B:GLY87 4.8 22.5 1.0
NZ B:LYS85 4.9 45.2 1.0
N B:LEU86 4.9 19.9 1.0
CA B:LYS85 5.0 24.4 1.0

Chlorine binding site 6 out of 13 in 3ck1

Go back to Chlorine Binding Sites List in 3ck1
Chlorine binding site 6 out of 13 in the Crystal Structure of A Putative Thioesterase (REUT_A2179) From Ralstonia Eutropha JMP134 at 1.74 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 Putative Thioesterase (REUT_A2179) From Ralstonia Eutropha JMP134 at 1.74 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl151

b:51.7
occ:1.00
 N B:MSE1 3.1 27.3 1.0
O B:HOH216 3.1 47.9 1.0
CA B:GLY0 3.7 29.0 1.0
CB B:MSE1 3.8 31.9 1.0
C B:GLY0 3.8 25.4 1.0
CA B:MSE1 4.0 27.9 1.0
O B:GLY0 4.9 19.1 1.0

Chlorine binding site 7 out of 13 in 3ck1

Go back to Chlorine Binding Sites List in 3ck1
Chlorine binding site 7 out of 13 in the Crystal Structure of A Putative Thioesterase (REUT_A2179) From Ralstonia Eutropha JMP134 at 1.74 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 Putative Thioesterase (REUT_A2179) From Ralstonia Eutropha JMP134 at 1.74 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl152

b:19.4
occ:0.50
 CL B:CL152 0.0 19.4 0.5
CL B:CL152 1.2 27.3 0.5
N B:GLU139 3.0 24.1 0.5
N B:GLU139 3.0 24.4 0.5
O B:HOH244 3.4 45.5 1.0
CB B:GLU139 3.6 27.8 0.5
CB B:GLU139 3.7 27.3 0.5
CG B:GLU139 3.7 32.4 0.5
OD1 B:ASP138 3.7 22.2 1.0
CA B:GLU139 3.8 26.8 0.5
CA B:GLU139 3.8 27.5 0.5
CA B:ASP138 3.8 20.0 1.0
C B:ASP138 3.9 23.0 1.0
N B:THR140 4.1 29.0 1.0
O B:VAL137 4.1 22.1 1.0
CG B:GLU139 4.2 32.4 0.5
CG2 B:THR140 4.3 25.3 1.0
C B:GLU139 4.4 28.0 0.5
CD B:GLU139 4.4 37.6 0.5
CG B:ASP138 4.5 21.6 1.0
C B:GLU139 4.5 28.9 0.5
OG1 B:THR2 4.6 26.7 1.0
CB B:THR2 4.7 20.9 1.0
CB B:ASP138 4.7 19.1 1.0
N B:GLY0 4.8 28.6 1.0
O B:GLY0 4.8 19.1 1.0
OE2 B:GLU139 4.8 43.1 0.5
N B:ASP138 4.8 20.6 1.0
CG2 B:THR2 4.9 22.5 1.0
C B:VAL137 4.9 21.7 1.0
O B:ASP138 5.0 23.9 1.0

Chlorine binding site 8 out of 13 in 3ck1

Go back to Chlorine Binding Sites List in 3ck1
Chlorine binding site 8 out of 13 in the Crystal Structure of A Putative Thioesterase (REUT_A2179) From Ralstonia Eutropha JMP134 at 1.74 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 Putative Thioesterase (REUT_A2179) From Ralstonia Eutropha JMP134 at 1.74 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl152

b:27.3
occ:0.50
 CL B:CL152 0.0 27.3 0.5
CL B:CL152 1.2 19.4 0.5
O B:HOH244 2.7 45.5 1.0
CB B:THR2 3.6 20.9 1.0
OG1 B:THR2 3.8 26.7 1.0
CG2 B:THR2 3.8 22.5 1.0
O B:GLY0 3.9 19.1 1.0
O B:VAL137 3.9 22.1 1.0
N B:GLU139 3.9 24.1 0.5
N B:GLU139 3.9 24.4 0.5
CG B:GLU139 4.3 32.4 0.5
CA B:ASP138 4.3 20.0 1.0
C B:GLY0 4.4 25.4 1.0
N B:GLY0 4.4 28.6 1.0
O B:MSE1 4.4 32.0 1.0
CB B:GLU139 4.5 27.8 0.5
OD1 B:ASP138 4.5 22.2 1.0
CB B:GLU139 4.6 27.3 0.5
C B:ASP138 4.6 23.0 1.0
CA B:GLY0 4.7 29.0 1.0
O B:HOH227 4.7 38.4 1.0
CG B:GLU139 4.8 32.4 0.5
C B:MSE1 4.8 29.9 1.0
CD B:GLU139 4.8 37.6 0.5
CA B:GLU139 4.8 26.8 0.5
CA B:GLU139 4.8 27.5 0.5
C B:VAL137 4.9 21.7 1.0
CA B:THR2 4.9 23.8 1.0
OE2 B:GLU139 5.0 43.1 0.5

Chlorine binding site 9 out of 13 in 3ck1

Go back to Chlorine Binding Sites List in 3ck1
Chlorine binding site 9 out of 13 in the Crystal Structure of A Putative Thioesterase (REUT_A2179) From Ralstonia Eutropha JMP134 at 1.74 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 Putative Thioesterase (REUT_A2179) From Ralstonia Eutropha JMP134 at 1.74 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl153

b:12.6
occ:0.50
 CL B:CL153 0.0 12.6 0.5
CL B:CL153 1.0 24.3 0.5
O B:HOH217 3.0 42.0 1.0
O B:HOH197 3.1 38.9 1.0
N B:GLY103 3.2 21.8 1.0
NH2 B:ARG105 3.3 19.5 1.0
N B:ASP101 3.4 22.7 1.0
CA B:GLY103 3.7 20.2 1.0
CA B:GLY99 3.7 20.1 1.0
CB B:ASP101 3.8 26.7 1.0
C B:GLY99 3.8 21.8 1.0
O B:HOH160 3.8 47.8 1.0
C B:ASP101 3.8 26.1 1.0
O B:HOH161 3.8 14.6 1.0
CA B:ASP101 3.9 24.0 1.0
N B:SER102 3.9 24.4 1.0
N B:PRO100 3.9 21.5 1.0
NE B:ARG105 4.1 19.6 1.0
CZ B:ARG105 4.1 18.2 1.0
CD B:PRO100 4.1 22.4 1.0
N B:GLY99 4.3 17.4 1.0
O B:GLY103 4.3 21.6 1.0
O B:GLY99 4.4 20.6 1.0
C B:SER102 4.4 24.9 1.0
O B:ASP101 4.4 27.7 1.0
C B:GLY103 4.5 20.2 1.0
C B:PRO100 4.6 23.8 1.0
CG B:ASP101 4.7 34.3 1.0
CA B:SER102 4.7 24.3 1.0
O B:HOH164 4.7 31.9 1.0
OD2 B:ASP101 4.7 44.1 1.0
CA B:PRO100 4.8 22.8 1.0
CG B:PRO100 4.9 27.5 1.0

Chlorine binding site 10 out of 13 in 3ck1

Go back to Chlorine Binding Sites List in 3ck1
Chlorine binding site 10 out of 13 in the Crystal Structure of A Putative Thioesterase (REUT_A2179) From Ralstonia Eutropha JMP134 at 1.74 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 Putative Thioesterase (REUT_A2179) From Ralstonia Eutropha JMP134 at 1.74 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl153

b:24.3
occ:0.50
 CL B:CL153 0.0 24.3 0.5
CL B:CL153 1.0 12.6 0.5
N B:ASP101 2.6 22.7 1.0
C B:GLY99 3.0 21.8 1.0
N B:PRO100 3.1 21.5 1.0
O B:HOH197 3.1 38.9 1.0
CA B:GLY99 3.2 20.1 1.0
CA B:ASP101 3.2 24.0 1.0
N B:SER102 3.3 24.4 1.0
C B:ASP101 3.4 26.1 1.0
N B:GLY103 3.4 21.8 1.0
CB B:ASP101 3.4 26.7 1.0
CD B:PRO100 3.4 22.4 1.0
O B:GLY99 3.6 20.6 1.0
NH2 B:ARG105 3.6 19.5 1.0
C B:PRO100 3.6 23.8 1.0
O B:HOH217 3.8 42.0 1.0
CA B:PRO100 3.9 22.8 1.0
N B:GLY99 3.9 17.4 1.0
CA B:GLY103 4.1 20.2 1.0
CG B:PRO100 4.1 27.5 1.0
O B:ASP101 4.2 27.7 1.0
CG B:ASP101 4.3 34.3 1.0
C B:SER102 4.3 24.9 1.0
CA B:SER102 4.3 24.3 1.0
CZ B:ARG105 4.4 18.2 1.0
OD2 B:ASP101 4.4 44.1 1.0
NE B:ARG105 4.5 19.6 1.0
O B:GLY103 4.5 21.6 1.0
O B:HOH160 4.6 47.8 1.0
CB B:PRO100 4.6 24.9 1.0
O B:PRO100 4.7 28.4 1.0
O B:HOH161 4.8 14.6 1.0
C B:GLY103 4.9 20.2 1.0

Reference:

Joint Center For Structural Genomics (Jcsg), Joint Center For Structural Genomics (Jcsg). N/A N/A.
Page generated: Sat Jul 20 17:34:15 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy