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Chlorine in PDB 3daq: Crystal Structure of Dihydrodipicolinate Synthase From Methicillin- Resistant Staphylococcus Aureus

Enzymatic activity of Crystal Structure of Dihydrodipicolinate Synthase From Methicillin- Resistant Staphylococcus Aureus

All present enzymatic activity of Crystal Structure of Dihydrodipicolinate Synthase From Methicillin- Resistant Staphylococcus Aureus:
4.2.1.52;

Protein crystallography data

The structure of Crystal Structure of Dihydrodipicolinate Synthase From Methicillin- Resistant Staphylococcus Aureus, PDB code: 3daq was solved by R.C.J.Dobson, B.R.Burgess, G.B.Jameson, J.A.Gerrard, M.W.Parker, M.A.Perugini, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.25 / 1.45
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 65.410, 67.573, 77.998, 90.13, 68.85, 72.29
R / Rfree (%) 13.2 / 16.1

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Dihydrodipicolinate Synthase From Methicillin- Resistant Staphylococcus Aureus (pdb code 3daq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Dihydrodipicolinate Synthase From Methicillin- Resistant Staphylococcus Aureus, PDB code: 3daq:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 3daq

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Chlorine binding site 1 out of 4 in the Crystal Structure of Dihydrodipicolinate Synthase From Methicillin- Resistant Staphylococcus Aureus


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 Dihydrodipicolinate Synthase From Methicillin- Resistant Staphylococcus Aureus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl294

b:13.3
occ:1.00
 OG1 A:THR13 2.9 7.1 1.0
O A:HOH340 3.0 12.8 1.0
O A:HOH327 3.0 10.8 1.0
CB A:PRO15 3.6 6.3 1.0
N A:PRO15 3.6 6.0 1.0
ND1 A:HIS29 3.6 7.4 1.0
CB A:THR13 3.7 6.1 1.0
CB A:PHE262 3.8 10.6 1.0
CA A:PRO15 3.8 6.6 1.0
CD A:PRO15 3.9 6.5 1.0
O A:PHE262 3.9 11.1 1.0
CB A:THR257 4.0 7.1 1.0
C A:THR14 4.0 6.3 1.0
CG A:PRO15 4.0 6.6 1.0
OG1 A:THR257 4.1 7.9 1.0
O A:THR13 4.1 5.9 1.0
C A:THR13 4.1 5.8 1.0
CE1 A:HIS29 4.2 7.9 1.0
O A:THR14 4.4 6.3 1.0
CG A:HIS29 4.4 6.7 1.0
N A:THR14 4.4 5.8 1.0
CG2 A:THR257 4.4 7.7 1.0
CA A:THR13 4.5 5.8 1.0
C A:PHE262 4.6 10.9 1.0
CA A:THR14 4.6 6.5 1.0
CA A:PHE262 4.7 10.7 1.0
CB A:HIS29 4.7 6.6 1.0
CG A:PHE262 4.8 10.1 1.0
CG2 A:THR13 4.9 6.5 1.0

Chlorine binding site 2 out of 4 in 3daq

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Chlorine binding site 2 out of 4 in the Crystal Structure of Dihydrodipicolinate Synthase From Methicillin- Resistant Staphylococcus Aureus


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 Dihydrodipicolinate Synthase From Methicillin- Resistant Staphylococcus Aureus within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl294

b:12.2
occ:1.00
 OG1 B:THR13 2.9 6.5 1.0
O B:HOH337 3.0 10.5 1.0
O B:HOH343 3.0 11.1 1.0
CB B:PRO15 3.6 5.6 1.0
ND1 B:HIS29 3.6 6.9 1.0
N B:PRO15 3.7 5.4 1.0
CB B:THR13 3.7 4.8 1.0
CA B:PRO15 3.8 5.7 1.0
CB B:PHE262 3.8 10.0 1.0
O B:PHE262 3.9 10.6 1.0
CD B:PRO15 3.9 5.9 1.0
CB B:THR257 4.0 6.2 1.0
CG B:PRO15 4.0 6.1 1.0
C B:THR14 4.0 5.9 1.0
OG1 B:THR257 4.0 6.8 1.0
O B:THR13 4.1 6.2 1.0
C B:THR13 4.1 5.1 1.0
CE1 B:HIS29 4.1 7.1 1.0
CG B:HIS29 4.4 5.3 1.0
CG2 B:THR257 4.4 7.3 1.0
N B:THR14 4.4 5.5 1.0
O B:THR14 4.4 5.7 1.0
C B:PHE262 4.5 10.5 1.0
CA B:THR13 4.6 4.8 1.0
CA B:THR14 4.7 6.2 1.0
CB B:HIS29 4.8 6.0 1.0
CA B:PHE262 4.8 10.3 1.0
CG B:PHE262 4.8 9.5 1.0
CG2 B:THR13 4.9 5.0 1.0

Chlorine binding site 3 out of 4 in 3daq

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Chlorine binding site 3 out of 4 in the Crystal Structure of Dihydrodipicolinate Synthase From Methicillin- Resistant Staphylococcus Aureus


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 Dihydrodipicolinate Synthase From Methicillin- Resistant Staphylococcus Aureus within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl294

b:12.7
occ:1.00
 O C:HOH341 2.9 10.8 1.0
O C:HOH365 3.0 13.6 1.0
OG1 C:THR13 3.0 6.5 1.0
CB C:PRO15 3.5 7.3 1.0
ND1 C:HIS29 3.6 7.0 1.0
N C:PRO15 3.7 6.6 1.0
CB C:THR13 3.8 5.2 1.0
CB C:PHE262 3.8 11.0 1.0
CA C:PRO15 3.8 7.0 1.0
O C:PHE262 3.9 11.6 1.0
CD C:PRO15 3.9 6.7 1.0
CB C:THR257 3.9 7.4 1.0
CG C:PRO15 4.0 7.5 1.0
C C:THR14 4.0 6.3 1.0
OG1 C:THR257 4.1 8.2 1.0
O C:THR13 4.1 5.8 1.0
CE1 C:HIS29 4.2 7.2 1.0
C C:THR13 4.2 5.5 1.0
CG2 C:THR257 4.3 7.3 1.0
CG C:HIS29 4.4 5.8 1.0
O C:THR14 4.4 6.3 1.0
C C:PHE262 4.5 10.9 1.0
N C:THR14 4.5 5.8 1.0
CA C:THR13 4.6 5.1 1.0
CA C:THR14 4.7 6.2 1.0
CB C:HIS29 4.7 5.4 1.0
CA C:PHE262 4.7 10.9 1.0
CG C:PHE262 4.8 10.9 1.0
CG2 C:THR13 4.9 5.6 1.0

Chlorine binding site 4 out of 4 in 3daq

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Chlorine binding site 4 out of 4 in the Crystal Structure of Dihydrodipicolinate Synthase From Methicillin- Resistant Staphylococcus Aureus


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 Dihydrodipicolinate Synthase From Methicillin- Resistant Staphylococcus Aureus within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1

b:13.4
occ:1.00
 OG1 D:THR13 2.9 6.1 1.0
O D:HOH340 3.0 10.6 1.0
O D:HOH372 3.0 13.9 1.0
CB D:PRO15 3.6 6.3 1.0
ND1 D:HIS29 3.6 6.4 1.0
N D:PRO15 3.7 5.7 1.0
CB D:THR13 3.7 5.4 1.0
CB D:PHE262 3.8 10.3 1.0
CA D:PRO15 3.8 6.2 1.0
CD D:PRO15 3.9 5.6 1.0
CB D:THR257 3.9 6.3 1.0
O D:PHE262 3.9 11.4 1.0
CG D:PRO15 4.0 6.3 1.0
C D:THR14 4.0 5.8 1.0
OG1 D:THR257 4.0 6.9 1.0
O D:THR13 4.1 6.1 1.0
CE1 D:HIS29 4.1 6.8 1.0
C D:THR13 4.1 5.6 1.0
CG D:HIS29 4.4 5.4 1.0
CG2 D:THR257 4.4 6.7 1.0
N D:THR14 4.4 6.0 1.0
O D:THR14 4.4 6.0 1.0
C D:PHE262 4.5 10.6 1.0
CA D:THR13 4.6 5.2 1.0
CA D:THR14 4.6 6.2 1.0
CB D:HIS29 4.7 5.2 1.0
CA D:PHE262 4.8 10.6 1.0
CG D:PHE262 4.8 9.8 1.0
CG2 D:THR13 4.9 6.2 1.0

Reference:

B.R.Burgess, R.C.J.Dobson, M.F.Bailey, S.C.Atkinson, M.D.W.Griffin, G.B.Jameson, M.W.Parker, J.A.Gerrard, M.A.Perugini. Structure and Evolution of A Novel Dimeric Enzyme From A Clinically-Important Bacterial Pathogen. J.Biol.Chem. 2008.
ISSN: ESSN 1083-351X
PubMed: 18684709
DOI: 10.1074/JBC.M804231200
Page generated: Sat Jul 20 18:06:12 2024

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