Atomistry » Chlorine » PDB 4h1t-4h8i » 4h1z
Atomistry »
  Chlorine »
    PDB 4h1t-4h8i »
      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: Sun Jul 21 15:23:22 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