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Chlorine in PDB 3lc2: Crystal Structure of Thioacyl-Glyceraldehyde-3-Phosphate Dehydrogenase 1(Gapdh 1) From Methicillin Resistant Staphylococcus Aureus MRSA252

Enzymatic activity of Crystal Structure of Thioacyl-Glyceraldehyde-3-Phosphate Dehydrogenase 1(Gapdh 1) From Methicillin Resistant Staphylococcus Aureus MRSA252

All present enzymatic activity of Crystal Structure of Thioacyl-Glyceraldehyde-3-Phosphate Dehydrogenase 1(Gapdh 1) From Methicillin Resistant Staphylococcus Aureus MRSA252:
1.2.1.12;

Protein crystallography data

The structure of Crystal Structure of Thioacyl-Glyceraldehyde-3-Phosphate Dehydrogenase 1(Gapdh 1) From Methicillin Resistant Staphylococcus Aureus MRSA252, PDB code: 3lc2 was solved by S.Mukherjee, D.Dutta, B.Saha, A.K.Das, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.80
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 69.057, 103.025, 90.303, 90.00, 109.40, 90.00
R / Rfree (%) 18.1 / 24.1

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Thioacyl-Glyceraldehyde-3-Phosphate Dehydrogenase 1(Gapdh 1) From Methicillin Resistant Staphylococcus Aureus MRSA252 (pdb code 3lc2). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Thioacyl-Glyceraldehyde-3-Phosphate Dehydrogenase 1(Gapdh 1) From Methicillin Resistant Staphylococcus Aureus MRSA252, PDB code: 3lc2:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 3lc2

Go back to Chlorine Binding Sites List in 3lc2
Chlorine binding site 1 out of 3 in the Crystal Structure of Thioacyl-Glyceraldehyde-3-Phosphate Dehydrogenase 1(Gapdh 1) From Methicillin Resistant Staphylococcus Aureus MRSA252


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 Thioacyl-Glyceraldehyde-3-Phosphate Dehydrogenase 1(Gapdh 1) From Methicillin Resistant Staphylococcus Aureus MRSA252 within 5.0Å range:
probe atom residue distance (Å) B Occ
O:Cl338

b:46.0
occ:1.00
NH1 O:ARG198 3.7 40.2 1.0
OG1 O:THR181 3.7 25.0 1.0
C3 O:G3H337 3.8 29.9 1.0
NH2 O:ARG234 3.9 24.4 1.0
C2 O:G3H337 4.1 22.1 1.0
O2 O:G3H337 4.3 25.0 1.0
CB O:THR181 4.3 22.0 1.0
CG2 O:THR181 4.4 18.7 1.0
CB O:ASP183 4.6 26.6 1.0
CZ O:ARG198 4.7 37.9 1.0
NH2 O:ARG198 4.8 39.5 1.0
O1P O:G3H337 4.8 32.9 1.0
OD2 O:ASP183 4.9 43.7 1.0
NH1 O:ARG234 4.9 26.4 1.0
CZ O:ARG234 4.9 25.9 1.0

Chlorine binding site 2 out of 3 in 3lc2

Go back to Chlorine Binding Sites List in 3lc2
Chlorine binding site 2 out of 3 in the Crystal Structure of Thioacyl-Glyceraldehyde-3-Phosphate Dehydrogenase 1(Gapdh 1) From Methicillin Resistant Staphylococcus Aureus MRSA252


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 Thioacyl-Glyceraldehyde-3-Phosphate Dehydrogenase 1(Gapdh 1) From Methicillin Resistant Staphylococcus Aureus MRSA252 within 5.0Å range:
probe atom residue distance (Å) B Occ
Q:Cl338

b:36.8
occ:1.00
OG1 Q:THR181 3.7 26.4 1.0
C3 Q:G3H337 3.8 36.1 1.0
NH1 Q:ARG198 3.8 43.2 1.0
NH2 Q:ARG234 3.9 24.8 1.0
C2 Q:G3H337 4.1 32.1 1.0
O2 Q:G3H337 4.2 32.0 1.0
CB Q:THR181 4.2 22.4 1.0
CG2 Q:THR181 4.3 18.9 1.0
CB Q:ASP183 4.6 27.4 1.0
O1P Q:G3H337 4.9 38.0 1.0
CZ Q:ARG198 4.9 39.2 1.0
NH2 Q:ARG198 4.9 40.2 1.0
CZ Q:ARG234 4.9 27.2 1.0
NH1 Q:ARG234 4.9 27.9 1.0

Chlorine binding site 3 out of 3 in 3lc2

Go back to Chlorine Binding Sites List in 3lc2
Chlorine binding site 3 out of 3 in the Crystal Structure of Thioacyl-Glyceraldehyde-3-Phosphate Dehydrogenase 1(Gapdh 1) From Methicillin Resistant Staphylococcus Aureus MRSA252


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 Thioacyl-Glyceraldehyde-3-Phosphate Dehydrogenase 1(Gapdh 1) From Methicillin Resistant Staphylococcus Aureus MRSA252 within 5.0Å range:
probe atom residue distance (Å) B Occ
R:Cl338

b:45.7
occ:1.00
OG1 R:THR181 3.9 26.8 1.0
NH1 R:ARG198 3.9 42.8 1.0
NH2 R:ARG234 4.1 26.0 1.0
C3 R:G3H337 4.1 36.7 1.0
C2 R:G3H337 4.2 31.9 1.0
O2 R:G3H337 4.3 26.3 1.0
CB R:THR181 4.5 22.5 1.0
CG2 R:THR181 4.6 18.7 1.0
CB R:ASP183 4.6 26.5 1.0
CZ R:ARG198 4.9 40.0 1.0
NH2 R:ARG198 4.9 39.9 1.0

Reference:

S.Mukherjee, D.Dutta, B.Saha, A.K.Das. Crystal Structure of Glyceraldehyde-3-Phosphate Dehydrogenase 1 From Methicillin-Resistant Staphylococcus Aureus MRSA252 Provides Novel Insights Into Substrate Binding and Catalytic Mechanism. J.Mol.Biol. V. 401 949 2010.
ISSN: ISSN 0022-2836
PubMed: 20620151
DOI: 10.1016/J.JMB.2010.07.002
Page generated: Sat Dec 12 09:52:53 2020

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