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Chlorine in PDB 9dtv: Structure of D141A Mutant of M.Tuberculosis Mend (Sephchc Synthase)

Enzymatic activity of Structure of D141A Mutant of M.Tuberculosis Mend (Sephchc Synthase)

All present enzymatic activity of Structure of D141A Mutant of M.Tuberculosis Mend (Sephchc Synthase):
2.2.1.9;

Protein crystallography data

The structure of Structure of D141A Mutant of M.Tuberculosis Mend (Sephchc Synthase), PDB code: 9dtv was solved by J.M.Johnston, N.A.T.Ho, F.M.Given, T.M.Allison, E.M.M.Bulloch, W.Jiao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.42 / 2.42
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 101.425, 140.443, 184.141, 90, 90, 90
R / Rfree (%) 19.3 / 23.4

Other elements in 9dtv:

The structure of Structure of D141A Mutant of M.Tuberculosis Mend (Sephchc Synthase) also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of D141A Mutant of M.Tuberculosis Mend (Sephchc Synthase) (pdb code 9dtv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Structure of D141A Mutant of M.Tuberculosis Mend (Sephchc Synthase), PDB code: 9dtv:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 9dtv

Go back to Chlorine Binding Sites List in 9dtv
Chlorine binding site 1 out of 5 in the Structure of D141A Mutant of M.Tuberculosis Mend (Sephchc Synthase)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of D141A Mutant of M.Tuberculosis Mend (Sephchc Synthase) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl602

b:72.8
occ:1.00
 OG1 A:THR442 2.9 69.5 1.0
N A:GLY439 3.2 61.0 1.0
CD A:PRO379 3.6 58.8 1.0
CA A:GLY375 3.6 45.6 1.0
CB A:THR442 3.6 63.4 1.0
CG A:PRO379 3.7 62.8 1.0
CB A:SER377 3.9 88.0 1.0
CA A:GLY439 4.0 45.8 1.0
C A:GLY375 4.0 63.9 1.0
CG2 A:THR442 4.0 60.8 1.0
CA A:ILE438 4.1 54.2 1.0
C A:ILE438 4.1 51.8 1.0
O A:GLY375 4.3 69.1 1.0
N A:SER377 4.3 68.2 1.0
CB A:ILE438 4.4 47.1 1.0
N A:GLY375 4.6 50.8 1.0
N A:ALA376 4.6 67.1 1.0
CA A:SER377 4.7 77.5 1.0
OG A:SER377 4.8 93.9 1.0
CB A:PRO379 4.9 46.6 1.0
C A:GLY439 4.9 54.9 1.0
O A:GLY439 4.9 57.1 1.0
N A:ASN378 4.9 70.3 1.0

Chlorine binding site 2 out of 5 in 9dtv

Go back to Chlorine Binding Sites List in 9dtv
Chlorine binding site 2 out of 5 in the Structure of D141A Mutant of M.Tuberculosis Mend (Sephchc Synthase)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of D141A Mutant of M.Tuberculosis Mend (Sephchc Synthase) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl605

b:60.2
occ:1.00
 NE D:ARG268 3.1 53.0 1.0
NH2 D:ARG268 3.3 62.5 1.0
CZ D:ARG268 3.6 55.2 1.0
CB D:ARG268 4.1 44.4 1.0
CD D:ARG268 4.2 53.8 1.0
CG D:ARG268 4.6 48.1 1.0
NH1 D:ARG268 4.9 46.5 1.0

Chlorine binding site 3 out of 5 in 9dtv

Go back to Chlorine Binding Sites List in 9dtv
Chlorine binding site 3 out of 5 in the Structure of D141A Mutant of M.Tuberculosis Mend (Sephchc Synthase)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of D141A Mutant of M.Tuberculosis Mend (Sephchc Synthase) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl606

b:75.6
occ:1.00
 NH1 D:ARG381 2.8 48.3 1.0
NH2 D:ARG381 3.1 56.6 1.0
NH1 D:ARG399 3.2 56.0 1.0
CZ D:ARG381 3.4 53.8 1.0
NH2 D:ARG399 3.5 58.9 1.0
N D:SER377 3.7 55.2 1.0
CZ D:ARG399 3.8 65.3 1.0
CB D:ALA402 3.9 41.3 1.0
CB D:ALA376 4.1 40.1 1.0
CA D:ALA376 4.5 49.4 1.0
CA D:SER377 4.5 54.5 1.0
O D:SER377 4.5 53.6 1.0
C D:ALA376 4.6 54.3 1.0
NE D:ARG381 4.7 61.5 1.0
O D:ALA402 4.8 45.6 1.0
CG1 D:VAL380 4.8 42.2 1.0
CD2 D:LEU280 4.8 49.0 1.0
ND2 A:ASN117 4.9 72.7 1.0
C D:SER377 5.0 56.2 1.0

Chlorine binding site 4 out of 5 in 9dtv

Go back to Chlorine Binding Sites List in 9dtv
Chlorine binding site 4 out of 5 in the Structure of D141A Mutant of M.Tuberculosis Mend (Sephchc Synthase)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of D141A Mutant of M.Tuberculosis Mend (Sephchc Synthase) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl602

b:82.5
occ:1.00
 OG1 B:THR442 2.5 86.1 1.0
N B:GLY439 3.2 62.2 1.0
CB B:THR442 3.4 67.2 1.0
CG2 B:THR442 3.8 83.7 1.0
CA B:GLY375 3.9 57.2 1.0
CD B:PRO379 3.9 64.0 1.0
CG B:PRO379 4.0 71.5 1.0
CA B:ILE438 4.0 66.4 1.0
CA B:GLY439 4.0 55.5 1.0
C B:ILE438 4.1 63.8 1.0
CB B:ILE438 4.2 57.3 1.0
CB B:SER377 4.2 86.0 1.0
C B:GLY375 4.3 78.0 1.0
O B:GLY375 4.6 72.0 1.0
O B:GLY439 4.6 69.2 1.0
N B:SER377 4.7 68.0 1.0
OG B:SER377 4.7 94.9 1.0
CA B:THR442 4.7 72.7 1.0
CG2 B:ILE438 4.7 58.3 1.0
C B:GLY439 4.7 70.1 1.0
N B:GLY375 4.8 52.8 1.0
N B:THR442 4.9 64.6 1.0
N B:ALA376 4.9 71.6 1.0
CA B:SER377 5.0 80.7 1.0

Chlorine binding site 5 out of 5 in 9dtv

Go back to Chlorine Binding Sites List in 9dtv
Chlorine binding site 5 out of 5 in the Structure of D141A Mutant of M.Tuberculosis Mend (Sephchc Synthase)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of D141A Mutant of M.Tuberculosis Mend (Sephchc Synthase) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl604

b:81.9
occ:1.00
 NH1 C:ARG381 2.6 69.2 1.0
NH1 C:ARG399 3.0 57.4 1.0
NH2 C:ARG381 3.5 87.8 1.0
CZ C:ARG381 3.5 81.1 1.0
NH2 C:ARG399 3.6 69.8 1.0
N C:SER377 3.6 59.3 1.0
CZ C:ARG399 3.7 64.5 1.0
CB C:ALA402 3.8 49.7 1.0
CB C:ALA376 3.9 59.3 1.0
CA C:SER377 4.3 72.2 1.0
O C:SER377 4.3 68.6 1.0
CA C:ALA376 4.4 58.0 1.0
ND2 B:ASN117 4.5 83.7 1.0
C C:ALA376 4.5 59.4 1.0
CD2 C:LEU280 4.6 64.6 1.0
CG1 C:VAL380 4.6 64.4 1.0
O C:ALA402 4.7 57.1 1.0
NE C:ARG381 4.8 87.8 1.0
CA C:ALA402 4.9 60.7 1.0
C C:SER377 4.9 76.2 1.0

Reference:

N.A.T.Ho, F.M.Given, T.Stanborough, M.Klein, T.M.Allison, E.M.M.Bulloch, W.Jiao, J.M.Johnston. Apparent Reversal of Allosteric Response in Mycobacterium Tuberculosis Mend Reveals Links to Half-of-Sites Reactivity. Chembiochem 00943 2025.
ISSN: ESSN 1439-7633
PubMed: 39945237
DOI: 10.1002/CBIC.202400943
Page generated: Sun Jul 13 16:25:46 2025

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