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Chlorine in PDB 9mva: Mycobacterium Abscessus EIS2 in Complex with Non-Hydrolyzable Coenzymea

Protein crystallography data

The structure of Mycobacterium Abscessus EIS2 in Complex with Non-Hydrolyzable Coenzymea, PDB code: 9mva was solved by T.D.Jayasinghe, A.L.Coker, T.Rajendra, D.Miller, R.E.Lee, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.36 / 1.80
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 195.695, 209.587, 152.291, 90, 90, 90
R / Rfree (%) 19.1 / 22.2

Other elements in 9mva:

The structure of Mycobacterium Abscessus EIS2 in Complex with Non-Hydrolyzable Coenzymea also contains other interesting chemical elements:

Sodium (Na) 14 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Mycobacterium Abscessus EIS2 in Complex with Non-Hydrolyzable Coenzymea (pdb code 9mva). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Mycobacterium Abscessus EIS2 in Complex with Non-Hydrolyzable Coenzymea, PDB code: 9mva:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 9mva

Go back to Chlorine Binding Sites List in 9mva
Chlorine binding site 1 out of 6 in the Mycobacterium Abscessus EIS2 in Complex with Non-Hydrolyzable Coenzymea


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Mycobacterium Abscessus EIS2 in Complex with Non-Hydrolyzable Coenzymea within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl506

b:25.0
occ:1.00
 O A:HOH687 2.8 30.5 1.0
O A:HOH699 3.1 23.6 1.0
O A:HOH755 3.1 22.5 1.0
N A:ARG363 3.4 13.9 1.0
CG1 A:VAL362 3.5 20.5 1.0
CG A:ARG363 3.7 13.1 1.0
N A:VAL362 3.7 13.8 1.0
CB A:THR361 3.8 20.9 1.0
CB A:ARG363 3.8 15.3 1.0
CA A:GLY128 4.0 14.5 1.0
OG1 A:THR361 4.0 17.8 1.0
N A:ASP329 4.2 26.4 1.0
O A:THR327 4.2 22.3 1.0
CA A:ARG363 4.2 14.8 1.0
C A:VAL362 4.3 16.4 1.0
CA A:VAL362 4.3 14.3 1.0
CD A:ARG363 4.4 14.8 1.0
O A:GLY125 4.4 15.1 1.0
CB A:VAL362 4.4 17.3 1.0
C A:THR361 4.4 18.6 1.0
N A:GLY128 4.5 17.5 1.0
CB A:ASP329 4.6 33.2 1.0
CA A:THR361 4.6 17.6 1.0
OD2 A:ASP329 4.6 43.8 1.0
CG2 A:THR361 4.7 21.8 1.0
CA A:ASP328 4.8 20.9 1.0
C A:GLY128 4.9 19.6 1.0

Chlorine binding site 2 out of 6 in 9mva

Go back to Chlorine Binding Sites List in 9mva
Chlorine binding site 2 out of 6 in the Mycobacterium Abscessus EIS2 in Complex with Non-Hydrolyzable Coenzymea


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Mycobacterium Abscessus EIS2 in Complex with Non-Hydrolyzable Coenzymea within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl508

b:23.5
occ:1.00
 O B:HOH771 2.8 28.6 1.0
O B:HOH864 3.0 22.4 1.0
O B:HOH750 3.1 16.7 1.0
N B:ARG363 3.4 15.5 1.0
CG1 B:VAL362 3.4 16.5 1.0
CG B:ARG363 3.7 12.9 1.0
CB B:ARG363 3.8 13.1 1.0
CB B:THR361 3.8 18.3 1.0
N B:VAL362 3.8 13.7 1.0
CA B:GLY128 4.0 14.9 1.0
OG1 B:THR361 4.1 18.8 1.0
N B:ASP329 4.1 20.4 1.0
CA B:ARG363 4.2 11.8 1.0
O B:THR327 4.3 17.8 1.0
C B:VAL362 4.3 13.6 1.0
CD B:ARG363 4.3 13.1 1.0
O B:GLY125 4.4 14.2 1.0
CA B:VAL362 4.4 14.4 1.0
CB B:VAL362 4.4 18.1 1.0
CB B:ASP329 4.4 27.9 1.0
C B:THR361 4.5 14.3 1.0
N B:GLY128 4.5 16.7 1.0
CA B:THR361 4.7 16.5 1.0
CG2 B:THR361 4.7 23.3 1.0
CA B:ASP328 4.8 20.3 1.0
CG B:ASP329 4.9 36.4 1.0
CA B:ASP329 4.9 24.1 1.0
C B:GLY128 4.9 14.3 1.0

Chlorine binding site 3 out of 6 in 9mva

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Chlorine binding site 3 out of 6 in the Mycobacterium Abscessus EIS2 in Complex with Non-Hydrolyzable Coenzymea


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Mycobacterium Abscessus EIS2 in Complex with Non-Hydrolyzable Coenzymea within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl507

b:22.3
occ:1.00
 O C:HOH856 2.8 23.2 1.0
O C:HOH883 3.0 21.9 1.0
O C:HOH890 3.1 14.7 1.0
N C:ARG363 3.4 8.5 1.0
CG1 C:VAL362 3.4 13.2 1.0
CG C:ARG363 3.6 11.3 1.0
CB C:ARG363 3.7 8.1 1.0
CB C:THR361 3.8 15.0 1.0
N C:VAL362 3.9 11.4 1.0
CA C:GLY128 3.9 11.4 1.0
CA C:ARG363 4.1 10.2 1.0
OG1 C:THR361 4.2 13.3 1.0
CD C:ARG363 4.3 10.1 1.0
C C:VAL362 4.3 10.6 1.0
O C:GLY125 4.3 9.8 1.0
O C:THR327 4.3 14.0 1.0
N C:ASP329 4.4 16.3 1.0
CA C:VAL362 4.4 10.6 1.0
CB C:VAL362 4.5 12.2 1.0
N C:GLY128 4.5 10.0 1.0
C C:THR361 4.6 11.5 1.0
CG2 C:THR361 4.6 18.4 1.0
CA C:THR361 4.7 11.8 1.0
CB C:ASP329 4.8 23.2 1.0
C C:GLY128 4.8 9.6 1.0
CA C:ASP328 4.9 13.2 1.0
O C:HOH997 4.9 30.0 1.0

Chlorine binding site 4 out of 6 in 9mva

Go back to Chlorine Binding Sites List in 9mva
Chlorine binding site 4 out of 6 in the Mycobacterium Abscessus EIS2 in Complex with Non-Hydrolyzable Coenzymea


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Mycobacterium Abscessus EIS2 in Complex with Non-Hydrolyzable Coenzymea within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl507

b:23.3
occ:1.00
 O D:HOH742 2.8 26.3 1.0
O D:HOH932 3.1 22.5 1.0
O D:HOH885 3.1 14.6 1.0
N D:ARG363 3.4 13.3 1.0
CG1 D:VAL362 3.5 16.6 1.0
CG D:ARG363 3.6 11.6 1.0
CB D:ARG363 3.7 12.1 1.0
CB D:THR361 3.8 15.8 1.0
N D:VAL362 3.9 11.5 1.0
CA D:GLY128 4.0 11.6 1.0
CA D:ARG363 4.2 11.8 1.0
OG1 D:THR361 4.2 13.8 1.0
CD D:ARG363 4.3 12.8 1.0
O D:THR327 4.3 15.5 1.0
N D:ASP329 4.3 17.7 1.0
C D:VAL362 4.3 12.8 1.0
O D:GLY125 4.4 12.4 1.0
CA D:VAL362 4.4 14.8 1.0
CB D:VAL362 4.4 15.1 1.0
N D:GLY128 4.5 11.0 1.0
C D:THR361 4.6 14.9 1.0
CG2 D:THR361 4.6 17.4 1.0
CA D:THR361 4.7 13.7 1.0
CB D:ASP329 4.8 21.2 1.0
CA D:ASP328 4.8 13.7 1.0
C D:GLY128 4.9 11.4 1.0

Chlorine binding site 5 out of 6 in 9mva

Go back to Chlorine Binding Sites List in 9mva
Chlorine binding site 5 out of 6 in the Mycobacterium Abscessus EIS2 in Complex with Non-Hydrolyzable Coenzymea


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Mycobacterium Abscessus EIS2 in Complex with Non-Hydrolyzable Coenzymea within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl508

b:20.1
occ:1.00
 O E:HOH814 2.9 30.9 1.0
O E:HOH905 3.0 20.1 1.0
O E:HOH767 3.2 16.3 1.0
CG1 E:VAL362 3.5 11.7 1.0
N E:ARG363 3.6 11.3 1.0
N E:ASP329 3.7 12.8 1.0
CB E:THR361 3.8 14.6 1.0
N E:VAL362 3.8 10.0 1.0
CG E:ARG363 3.9 10.0 1.0
CB E:ARG363 4.0 12.2 1.0
CB E:ASP329 4.0 14.7 1.0
O E:THR327 4.1 14.5 1.0
CA E:GLY128 4.2 12.1 1.0
OG1 E:THR361 4.3 17.0 1.0
CA E:ARG363 4.4 10.8 1.0
CB E:VAL362 4.4 11.8 1.0
CA E:VAL362 4.4 12.1 1.0
C E:VAL362 4.4 11.7 1.0
CA E:ASP329 4.5 12.8 1.0
C E:THR361 4.5 12.6 1.0
CD E:ARG363 4.5 13.1 1.0
CA E:ASP328 4.6 11.6 1.0
CA E:THR361 4.6 12.6 1.0
O E:GLY125 4.7 12.7 1.0
C E:ASP328 4.7 14.8 1.0
CG2 E:THR361 4.7 21.1 1.0
N E:GLY128 4.8 10.7 1.0
OD1 E:ASP328 4.9 10.4 1.0

Chlorine binding site 6 out of 6 in 9mva

Go back to Chlorine Binding Sites List in 9mva
Chlorine binding site 6 out of 6 in the Mycobacterium Abscessus EIS2 in Complex with Non-Hydrolyzable Coenzymea


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Mycobacterium Abscessus EIS2 in Complex with Non-Hydrolyzable Coenzymea within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl509

b:20.3
occ:1.00
 O F:HOH827 2.9 19.9 1.0
O F:HOH845 3.1 17.4 1.0
CG1 F:VAL362 3.5 10.0 1.0
N F:ARG363 3.6 10.6 1.0
N F:ASP329 3.7 12.1 1.0
CB F:THR361 3.8 16.4 1.0
N F:VAL362 3.8 10.6 1.0
CG F:ARG363 3.9 7.7 1.0
CB F:ARG363 4.0 9.6 1.0
CB F:ASP329 4.0 16.5 1.0
O F:THR327 4.1 14.6 1.0
OG1 F:THR361 4.3 15.8 1.0
CA F:GLY128 4.3 10.1 1.0
CA F:ARG363 4.4 9.5 1.0
CA F:VAL362 4.4 11.6 1.0
CB F:VAL362 4.5 10.2 1.0
C F:VAL362 4.5 10.8 1.0
CA F:ASP329 4.5 14.3 1.0
C F:THR361 4.5 13.1 1.0
CD F:ARG363 4.5 12.0 1.0
CA F:ASP328 4.5 10.5 1.0
CA F:THR361 4.6 13.5 1.0
C F:ASP328 4.6 15.1 1.0
O F:GLY125 4.7 10.5 1.0
CG2 F:THR361 4.7 19.1 1.0
N F:GLY128 4.9 9.7 1.0
OD1 F:ASP328 4.9 13.2 1.0
O F:HOH878 4.9 27.3 1.0

Reference:

T.D.Jayasinghe, A.L.Coker, T.Rajendra, D.Miller, R.E.Lee. Mycobacterium Abscessus EIS2 in Complex with Non-Hydrolyzable Coenzymea To Be Published.
Page generated: Sun Jul 13 17:16:31 2025

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