Atomistry » Chlorine » PDB 4h1x-4h8x » 4h1z
Atomistry »
  Chlorine »
    PDB 4h1x-4h8x »
      4h1z »

Chlorine in PDB 4h1z: Crystal Structure of Putative Isomerase From Sinorhizobium Meliloti, Open Loop Conformation (Target Efi-502104)

Protein crystallography data

The structure of Crystal Structure of Putative Isomerase From Sinorhizobium Meliloti, Open Loop Conformation (Target Efi-502104), PDB code: 4h1z was solved by Y.Patskovsky, R.Toro, R.Bhosle, B.Hillerich, R.D.Seidel, E.Washington, A.Scott Glenn, S.Chowdhury, B.Evans, J.Hammonds, W.D.Zencheck, H.J.Imker, J.A.Gerlt, S.C.Almo, Enzyme Function Initiative (Efi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.02 / 2.01
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 102.723, 121.702, 137.691, 90.00, 99.79, 90.00
R / Rfree (%) 17.2 / 22.9

Other elements in 4h1z:

The structure of Crystal Structure of Putative Isomerase From Sinorhizobium Meliloti, Open Loop Conformation (Target Efi-502104) also contains other interesting chemical elements:

Magnesium (Mg) 8 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Putative Isomerase From Sinorhizobium Meliloti, Open Loop Conformation (Target Efi-502104) (pdb code 4h1z). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 9 binding sites of Chlorine where determined in the Crystal Structure of Putative Isomerase From Sinorhizobium Meliloti, Open Loop Conformation (Target Efi-502104), PDB code: 4h1z:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Chlorine binding site 1 out of 9 in 4h1z

Go back to Chlorine Binding Sites List in 4h1z
Chlorine binding site 1 out of 9 in the Crystal Structure of Putative Isomerase From Sinorhizobium Meliloti, Open Loop Conformation (Target Efi-502104)


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 Putative Isomerase From Sinorhizobium Meliloti, Open Loop Conformation (Target Efi-502104) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl402

b:27.8
occ:0.50
 CL B:CL402 0.0 27.8 0.5
CL B:CL402 1.7 26.1 0.5
O B:HOH687 2.9 30.8 1.0
N B:PHE118 3.2 25.7 1.0
N F:PHE118 3.2 27.9 1.0
N B:TYR119 3.5 26.2 1.0
O B:GLY116 3.5 24.2 1.0
CA F:GLY117 3.5 21.5 1.0
CD2 F:PHE118 3.6 20.9 1.0
CA B:GLY117 3.8 24.4 1.0
C B:GLY117 3.8 30.9 1.0
C F:GLY117 3.9 25.7 1.0
O F:HOH526 3.9 37.4 1.0
CA B:PHE118 4.0 26.3 1.0
CB B:PHE118 4.1 29.1 1.0
CB F:PHE118 4.1 19.4 1.0
C B:GLY116 4.1 30.3 1.0
CB B:TYR119 4.1 18.7 1.0
CA F:PHE118 4.2 23.0 1.0
C B:PHE118 4.3 25.9 1.0
N B:GLY117 4.3 20.5 1.0
CG F:PHE118 4.3 30.1 1.0
N F:GLY117 4.4 26.3 1.0
CA B:TYR119 4.4 25.7 1.0
O F:GLY116 4.4 27.1 1.0
CD2 B:PHE118 4.5 22.1 1.0
CE2 F:PHE118 4.6 24.7 1.0
N F:TYR119 4.6 22.9 1.0
CD1 B:TYR114 4.6 25.1 1.0
C F:GLY116 4.7 32.0 1.0
O F:HOH667 4.8 53.9 1.0
CG B:PHE118 4.8 26.3 1.0
O B:GLY117 4.8 26.1 1.0
C F:PHE118 5.0 26.5 1.0

Chlorine binding site 2 out of 9 in 4h1z

Go back to Chlorine Binding Sites List in 4h1z
Chlorine binding site 2 out of 9 in the Crystal Structure of Putative Isomerase From Sinorhizobium Meliloti, Open Loop Conformation (Target Efi-502104)


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 Putative Isomerase From Sinorhizobium Meliloti, Open Loop Conformation (Target Efi-502104) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl402

b:26.1
occ:0.50
 CL B:CL402 0.0 26.1 0.5
CL B:CL402 1.7 27.8 0.5
N B:PHE118 3.1 25.7 1.0
N F:PHE118 3.2 27.9 1.0
O F:HOH526 3.3 37.4 1.0
N F:TYR119 3.4 22.9 1.0
CD2 B:PHE118 3.4 22.1 1.0
CA B:GLY117 3.6 24.4 1.0
O F:GLY116 3.7 27.1 1.0
C B:GLY117 3.8 30.9 1.0
CB F:PHE118 3.9 19.4 1.0
CB B:PHE118 3.9 29.1 1.0
C F:GLY117 3.9 25.7 1.0
CA F:PHE118 3.9 23.0 1.0
CA F:GLY117 4.0 21.5 1.0
CA B:PHE118 4.1 26.3 1.0
O B:HOH687 4.1 30.8 1.0
CG B:PHE118 4.1 26.3 1.0
CB F:TYR119 4.1 19.5 1.0
C F:PHE118 4.1 26.5 1.0
C F:GLY116 4.3 32.0 1.0
CA F:TYR119 4.3 23.1 1.0
CD2 F:PHE118 4.4 20.9 1.0
CE2 B:PHE118 4.4 20.5 1.0
N B:TYR119 4.5 26.2 1.0
O B:GLY116 4.5 24.2 1.0
N F:GLY117 4.5 26.3 1.0
N B:GLY117 4.6 20.5 1.0
CD1 F:TYR114 4.6 24.5 1.0
CG F:PHE118 4.6 30.1 1.0
C B:GLY116 4.8 30.3 1.0
C B:PHE118 4.9 25.9 1.0
O F:GLY117 4.9 24.1 1.0
O F:HOH667 5.0 53.9 1.0

Chlorine binding site 3 out of 9 in 4h1z

Go back to Chlorine Binding Sites List in 4h1z
Chlorine binding site 3 out of 9 in the Crystal Structure of Putative Isomerase From Sinorhizobium Meliloti, Open Loop Conformation (Target Efi-502104)


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 Putative Isomerase From Sinorhizobium Meliloti, Open Loop Conformation (Target Efi-502104) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl401

b:30.7
occ:0.50
 CL C:CL401 0.0 30.7 0.5
CL C:CL401 1.5 29.6 0.5
O C:HOH560 3.0 37.0 1.0
N A:PHE118 3.1 36.8 1.0
N C:PHE118 3.3 37.7 1.0
CD2 A:PHE118 3.5 34.0 1.0
CA A:GLY117 3.5 28.3 1.0
N C:TYR119 3.6 29.5 1.0
C A:GLY117 3.8 39.4 1.0
O A:HOH537 3.8 45.8 1.0
O C:GLY116 3.8 34.2 1.0
C C:GLY117 4.0 51.4 1.0
CB C:PHE118 4.0 24.2 1.0
CA C:GLY117 4.0 32.4 1.0
CA C:PHE118 4.0 31.7 1.0
CB A:PHE118 4.0 30.0 1.0
CA A:PHE118 4.1 33.9 1.0
CG A:PHE118 4.2 44.2 1.0
CB C:TYR119 4.3 22.3 1.0
C C:GLY116 4.3 29.6 1.0
C C:PHE118 4.3 21.9 1.0
CD2 C:PHE118 4.4 26.4 1.0
N A:GLY117 4.4 31.9 1.0
O A:GLY116 4.4 39.1 1.0
O A:HOH501 4.4 53.8 1.0
N C:GLY117 4.4 33.8 1.0
CE2 A:PHE118 4.4 24.4 1.0
N A:TYR119 4.4 39.2 1.0
CA C:TYR119 4.5 33.0 1.0
C A:GLY116 4.7 40.3 1.0
CG C:PHE118 4.7 27.5 1.0
CD1 C:TYR114 4.7 32.8 1.0
C A:PHE118 4.9 40.4 1.0
O C:GLY117 5.0 33.0 1.0

Chlorine binding site 4 out of 9 in 4h1z

Go back to Chlorine Binding Sites List in 4h1z
Chlorine binding site 4 out of 9 in the Crystal Structure of Putative Isomerase From Sinorhizobium Meliloti, Open Loop Conformation (Target Efi-502104)


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 Putative Isomerase From Sinorhizobium Meliloti, Open Loop Conformation (Target Efi-502104) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl401

b:29.6
occ:0.50
 CL C:CL401 0.0 29.6 0.5
CL C:CL401 1.5 30.7 0.5
O A:HOH537 3.1 45.8 1.0
N C:PHE118 3.1 37.7 1.0
N A:PHE118 3.3 36.8 1.0
CD2 C:PHE118 3.4 26.4 1.0
N A:TYR119 3.5 39.2 1.0
CA C:GLY117 3.7 32.4 1.0
O A:GLY116 3.7 39.1 1.0
C C:GLY117 3.9 51.4 1.0
CB C:PHE118 3.9 24.2 1.0
CA A:GLY117 3.9 28.3 1.0
C A:GLY117 3.9 39.4 1.0
O C:HOH560 4.0 37.0 1.0
CA C:PHE118 4.1 31.7 1.0
CA A:PHE118 4.1 33.9 1.0
CB A:PHE118 4.1 30.0 1.0
CG C:PHE118 4.1 27.5 1.0
CB A:TYR119 4.2 33.4 1.0
C A:GLY116 4.3 40.3 1.0
C A:PHE118 4.3 40.4 1.0
CE2 C:PHE118 4.4 42.4 1.0
CD2 A:PHE118 4.4 34.0 1.0
N C:GLY117 4.4 33.8 1.0
CA A:TYR119 4.4 33.8 1.0
N A:GLY117 4.4 31.9 1.0
N C:TYR119 4.5 29.5 1.0
O A:HOH501 4.5 53.8 1.0
O C:GLY116 4.6 34.2 1.0
CD1 A:TYR114 4.6 27.2 1.0
C C:GLY116 4.8 29.6 1.0
CG A:PHE118 4.8 44.2 1.0
C C:PHE118 4.9 21.9 1.0
O A:GLY117 5.0 28.8 1.0

Chlorine binding site 5 out of 9 in 4h1z

Go back to Chlorine Binding Sites List in 4h1z
Chlorine binding site 5 out of 9 in the Crystal Structure of Putative Isomerase From Sinorhizobium Meliloti, Open Loop Conformation (Target Efi-502104)


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 Putative Isomerase From Sinorhizobium Meliloti, Open Loop Conformation (Target Efi-502104) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl403

b:58.0
occ:1.00
 O D:HOH559 2.7 39.8 1.0
N C:ASP250 3.2 34.3 1.0
N C:ILE249 3.4 27.6 1.0
CB C:ASP250 3.5 42.8 1.0
CG C:ASP250 3.5 40.0 1.0
OD2 C:ASP250 3.6 67.3 1.0
O C:GLU247 3.7 37.8 1.0
CA C:ASP250 3.9 32.5 1.0
C C:ASP248 4.0 27.7 1.0
OD1 C:ASP248 4.1 30.8 1.0
O D:HOH555 4.1 48.4 1.0
CA C:ASP248 4.1 27.8 1.0
CA C:ILE249 4.1 30.5 1.0
C C:ILE249 4.1 32.5 1.0
OD1 C:ASP250 4.2 53.6 1.0
CB C:ILE249 4.3 33.6 1.0
O A:HOH599 4.6 46.1 1.0
C C:GLU247 4.7 39.3 1.0
N C:GLY251 4.8 31.3 1.0
CG1 A:VAL276 4.8 28.8 1.0
O C:ASP248 4.9 31.0 1.0
N C:ASP248 4.9 28.7 1.0
C C:ASP250 5.0 41.9 1.0

Chlorine binding site 6 out of 9 in 4h1z

Go back to Chlorine Binding Sites List in 4h1z
Chlorine binding site 6 out of 9 in the Crystal Structure of Putative Isomerase From Sinorhizobium Meliloti, Open Loop Conformation (Target Efi-502104)


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 Putative Isomerase From Sinorhizobium Meliloti, Open Loop Conformation (Target Efi-502104) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl402

b:27.1
occ:0.50
 CL D:CL402 0.0 27.1 0.5
CL D:CL402 1.5 28.3 0.5
O D:HOH510 3.0 44.1 1.0
N D:PHE118 3.1 40.0 1.0
N H:PHE118 3.2 30.4 1.0
O D:GLY116 3.4 34.0 1.0
N D:TYR119 3.4 31.8 1.0
CD2 H:PHE118 3.6 29.5 1.0
O H:HOH525 3.6 44.5 1.0
CA D:GLY117 3.7 29.8 1.0
C D:GLY117 3.7 30.6 1.0
CA H:GLY117 3.7 43.7 1.0
C H:GLY117 3.9 37.0 1.0
CA D:PHE118 4.0 41.4 1.0
C D:GLY116 4.0 42.0 1.0
CB H:PHE118 4.0 27.2 1.0
CB D:PHE118 4.0 37.5 1.0
CB D:TYR119 4.1 32.0 1.0
CA H:PHE118 4.2 23.8 1.0
N D:GLY117 4.2 26.7 1.0
C D:PHE118 4.2 38.7 1.0
CG H:PHE118 4.3 29.6 1.0
CD2 D:PHE118 4.3 29.2 1.0
CA D:TYR119 4.4 33.5 1.0
N H:GLY117 4.4 35.0 1.0
O H:GLY116 4.5 30.3 1.0
CE2 H:PHE118 4.5 29.9 1.0
N H:TYR119 4.6 33.0 1.0
CG D:PHE118 4.7 41.9 1.0
C H:GLY116 4.7 40.7 1.0
O D:GLY117 4.7 25.9 1.0
O H:HOH591 4.8 61.1 1.0
CD1 D:TYR114 4.9 28.4 1.0
C H:PHE118 4.9 23.9 1.0

Chlorine binding site 7 out of 9 in 4h1z

Go back to Chlorine Binding Sites List in 4h1z
Chlorine binding site 7 out of 9 in the Crystal Structure of Putative Isomerase From Sinorhizobium Meliloti, Open Loop Conformation (Target Efi-502104)


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 Putative Isomerase From Sinorhizobium Meliloti, Open Loop Conformation (Target Efi-502104) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl402

b:28.3
occ:0.50
 CL D:CL402 0.0 28.3 0.5
CL D:CL402 1.5 27.1 0.5
O H:HOH525 2.8 44.5 1.0
N H:PHE118 3.1 30.4 1.0
N D:PHE118 3.2 40.0 1.0
N H:TYR119 3.4 33.0 1.0
CD2 D:PHE118 3.5 29.2 1.0
CA D:GLY117 3.6 29.8 1.0
O H:GLY116 3.6 30.3 1.0
C H:GLY117 3.8 37.0 1.0
CA H:PHE118 3.8 23.8 1.0
CB H:PHE118 3.9 27.2 1.0
CA H:GLY117 3.9 43.7 1.0
O D:HOH510 3.9 44.1 1.0
C D:GLY117 3.9 30.6 1.0
C H:PHE118 4.1 23.9 1.0
C H:GLY116 4.1 40.7 1.0
CB D:PHE118 4.1 37.5 1.0
CB H:TYR119 4.2 21.6 1.0
CA D:PHE118 4.3 41.4 1.0
CG D:PHE118 4.3 41.9 1.0
N H:GLY117 4.3 35.0 1.0
CD2 H:PHE118 4.3 29.5 1.0
CE2 D:PHE118 4.4 27.9 1.0
CA H:TYR119 4.4 22.3 1.0
O D:GLY116 4.4 34.0 1.0
N D:GLY117 4.4 26.7 1.0
N D:TYR119 4.5 31.8 1.0
CG H:PHE118 4.6 29.6 1.0
C D:GLY116 4.7 42.0 1.0
CD1 H:TYR114 4.7 31.8 1.0
O H:HOH591 4.7 61.1 1.0
O H:GLY117 4.8 25.6 1.0
C D:PHE118 5.0 38.7 1.0

Chlorine binding site 8 out of 9 in 4h1z

Go back to Chlorine Binding Sites List in 4h1z
Chlorine binding site 8 out of 9 in the Crystal Structure of Putative Isomerase From Sinorhizobium Meliloti, Open Loop Conformation (Target Efi-502104)


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 Putative Isomerase From Sinorhizobium Meliloti, Open Loop Conformation (Target Efi-502104) within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl401

b:24.0
occ:0.50
 CL G:CL401 0.0 24.0 0.5
CL G:CL401 1.4 23.6 0.5
N E:PHE118 3.0 21.0 1.0
O G:HOH696 3.1 39.9 1.0
N G:PHE118 3.3 22.5 1.0
CA E:GLY117 3.5 23.6 1.0
CD2 E:PHE118 3.5 21.1 1.0
N G:TYR119 3.7 26.3 1.0
O E:HOH536 3.7 34.3 1.0
C E:GLY117 3.7 31.3 1.0
O G:GLY116 3.8 31.5 1.0
CB E:PHE118 3.8 22.2 1.0
CA G:GLY117 3.9 20.6 1.0
CA E:PHE118 3.9 25.9 1.0
C G:GLY117 4.0 28.4 1.0
CB G:PHE118 4.1 22.0 1.0
CA G:PHE118 4.1 24.3 1.0
CG E:PHE118 4.1 20.7 1.0
N E:TYR119 4.2 16.6 1.0
N E:GLY117 4.3 28.3 1.0
CD2 G:PHE118 4.3 26.6 1.0
C G:GLY116 4.4 18.6 1.0
CB G:TYR119 4.4 26.5 1.0
O E:GLY116 4.4 37.6 1.0
C G:PHE118 4.4 18.9 1.0
N G:GLY117 4.5 22.9 1.0
CE2 E:PHE118 4.6 27.2 1.0
C E:GLY116 4.6 27.7 1.0
C E:PHE118 4.6 20.2 1.0
CD1 G:TYR114 4.6 33.4 1.0
CA G:TYR119 4.7 25.3 1.0
CG G:PHE118 4.7 28.3 1.0
O E:GLY117 4.9 21.1 1.0

Chlorine binding site 9 out of 9 in 4h1z

Go back to Chlorine Binding Sites List in 4h1z
Chlorine binding site 9 out of 9 in the Crystal Structure of Putative Isomerase From Sinorhizobium Meliloti, Open Loop Conformation (Target Efi-502104)


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 Putative Isomerase From Sinorhizobium Meliloti, Open Loop Conformation (Target Efi-502104) within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl401

b:23.6
occ:0.50
 CL G:CL401 0.0 23.6 0.5
CL G:CL401 1.4 24.0 0.5
O E:HOH536 2.9 34.3 1.0
N G:PHE118 3.1 22.5 1.0
N E:PHE118 3.3 21.0 1.0
CD2 G:PHE118 3.5 26.6 1.0
CA G:GLY117 3.5 20.6 1.0
N E:TYR119 3.5 16.6 1.0
O G:HOH696 3.8 39.9 1.0
C G:GLY117 3.8 28.4 1.0
O E:GLY116 3.8 37.6 1.0
CA E:GLY117 3.9 23.6 1.0
C E:GLY117 4.0 31.3 1.0
CB G:PHE118 4.0 22.0 1.0
CB E:PHE118 4.0 22.2 1.0
CA E:PHE118 4.0 25.9 1.0
CA G:PHE118 4.1 24.3 1.0
CG G:PHE118 4.2 28.3 1.0
C E:PHE118 4.3 20.2 1.0
CB E:TYR119 4.3 15.4 1.0
C E:GLY116 4.3 27.7 1.0
O G:GLY116 4.3 31.5 1.0
N E:GLY117 4.4 28.3 1.0
N G:GLY117 4.4 22.9 1.0
CD2 E:PHE118 4.5 21.1 1.0
N G:TYR119 4.5 26.3 1.0
CE2 G:PHE118 4.5 26.2 1.0
CA E:TYR119 4.5 19.1 1.0
C G:GLY116 4.7 18.6 1.0
CD1 E:TYR114 4.7 19.7 1.0
CG E:PHE118 4.7 20.7 1.0
C G:PHE118 4.9 18.9 1.0

Reference:

Y.Patskovsky, R.Toro, R.Bhosle, B.Hillerich, R.D.Seidel, E.Washington, A.Scott Glenn, S.Chowdhury, B.Evans, J.Hammonds, W.D.Zencheck, H.J.Imker, J.A.Gerlt, S.C.Almo. Crystal Structure of Enolase Q92ZS5 (Target Efi-502104) From Sinorhizobium Meliloti To Be Published.
Page generated: Fri Jul 11 16:06:33 2025

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy