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Chlorine in PDB 3f1y: Mannosyl-3-Phosphoglycerate Synthase From Rubrobacter Xylanophilus

Enzymatic activity of Mannosyl-3-Phosphoglycerate Synthase From Rubrobacter Xylanophilus

All present enzymatic activity of Mannosyl-3-Phosphoglycerate Synthase From Rubrobacter Xylanophilus:
2.4.1.217;

Protein crystallography data

The structure of Mannosyl-3-Phosphoglycerate Synthase From Rubrobacter Xylanophilus, PDB code: 3f1y was solved by S.Macedo-Ribeiro, P.J.B.Pereira, N.Empadinhas, M.S.Da Costa, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 51.39 / 2.20
Space group P 65 2 2
Cell size a, b, c (Å), α, β, γ (°) 108.881, 108.881, 311.651, 90.00, 90.00, 120.00
R / Rfree (%) 18.8 / 21.8

Other elements in 3f1y:

The structure of Mannosyl-3-Phosphoglycerate Synthase From Rubrobacter Xylanophilus also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Mannosyl-3-Phosphoglycerate Synthase From Rubrobacter Xylanophilus (pdb code 3f1y). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Mannosyl-3-Phosphoglycerate Synthase From Rubrobacter Xylanophilus, PDB code: 3f1y:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 3f1y

Go back to Chlorine Binding Sites List in 3f1y
Chlorine binding site 1 out of 4 in the Mannosyl-3-Phosphoglycerate Synthase From Rubrobacter Xylanophilus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Mannosyl-3-Phosphoglycerate Synthase From Rubrobacter Xylanophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl337

b:51.3
occ:1.00
 NH1 A:ARG273 3.1 42.9 1.0
N A:LEU322 3.3 57.8 1.0
NH2 A:ARG273 3.3 42.1 1.0
O A:HOH408 3.4 54.2 1.0
O A:HOH421 3.5 50.1 1.0
CG A:GLU321 3.7 80.0 1.0
CZ A:ARG273 3.7 41.9 1.0
CB A:SER301 3.8 44.4 1.0
CA A:GLU321 3.9 78.1 1.0
CB A:LEU322 4.1 55.5 1.0
C A:GLU321 4.1 76.3 1.0
CA A:LEU322 4.2 56.4 1.0
N A:SER301 4.3 42.5 1.0
CA A:SER301 4.3 42.9 1.0
CB A:GLU321 4.4 79.7 1.0
OG A:SER301 4.7 46.4 1.0
O A:LEU322 4.8 56.8 1.0
O A:GLU320 4.8 71.1 1.0
C A:LEU322 4.9 56.8 1.0
CD A:GLU321 4.9 81.6 1.0
CB A:LEU300 4.9 43.9 1.0
NE A:ARG273 5.0 40.9 1.0

Chlorine binding site 2 out of 4 in 3f1y

Go back to Chlorine Binding Sites List in 3f1y
Chlorine binding site 2 out of 4 in the Mannosyl-3-Phosphoglycerate Synthase From Rubrobacter Xylanophilus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Mannosyl-3-Phosphoglycerate Synthase From Rubrobacter Xylanophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl338

b:46.3
occ:1.00
 CD A:ARG277 3.1 39.5 1.0
O A:HOH504 3.1 40.2 1.0
NH2 A:ARG280 3.3 47.2 0.9
NH1 A:ARG277 3.4 40.9 1.0
NH2 A:ARG273 3.4 42.1 1.0
O A:HOH415 3.9 53.8 1.0
NE A:ARG277 3.9 39.3 1.0
CD1 A:LEU300 4.0 42.8 1.0
CZ A:ARG277 4.1 40.0 1.0
CB A:ARG277 4.1 37.6 1.0
CG A:ARG277 4.2 38.7 1.0
CA A:ARG277 4.5 38.0 1.0
CZ A:ARG273 4.5 41.9 1.0
CZ A:ARG280 4.5 47.8 0.9
CD2 A:LEU322 4.6 53.7 1.0
NE A:ARG273 4.7 40.9 1.0
NE A:ARG280 4.9 47.2 0.9
N A:ARG277 5.0 37.3 1.0
O A:ARG273 5.0 37.5 1.0

Chlorine binding site 3 out of 4 in 3f1y

Go back to Chlorine Binding Sites List in 3f1y
Chlorine binding site 3 out of 4 in the Mannosyl-3-Phosphoglycerate Synthase From Rubrobacter Xylanophilus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Mannosyl-3-Phosphoglycerate Synthase From Rubrobacter Xylanophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl337

b:57.7
occ:1.00
 NH2 C:ARG280 2.7 54.6 1.0
O C:HOH353 3.2 41.4 1.0
NH1 C:ARG277 3.2 47.6 1.0
NH2 C:ARG273 3.4 46.5 1.0
CB C:ARG277 3.8 42.4 1.0
CG C:ARG277 3.9 43.4 1.0
CD C:ARG277 4.0 43.6 1.0
CZ C:ARG280 4.0 55.6 1.0
CD1 C:LEU300 4.1 46.7 1.0
CA C:ARG277 4.3 42.5 1.0
CD2 C:LEU322 4.4 44.8 1.0
CZ C:ARG277 4.4 46.9 1.0
CZ C:ARG273 4.5 46.0 1.0
O C:HOH367 4.6 68.6 1.0
NE C:ARG277 4.7 44.9 1.0
NE C:ARG280 4.7 55.3 1.0
NE C:ARG273 4.7 44.5 1.0
N C:ARG277 4.9 41.7 1.0
NH1 C:ARG280 5.0 57.1 1.0

Chlorine binding site 4 out of 4 in 3f1y

Go back to Chlorine Binding Sites List in 3f1y
Chlorine binding site 4 out of 4 in the Mannosyl-3-Phosphoglycerate Synthase From Rubrobacter Xylanophilus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Mannosyl-3-Phosphoglycerate Synthase From Rubrobacter Xylanophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl338

b:50.2
occ:1.00
 NH1 C:ARG273 3.2 47.3 1.0
N C:LEU322 3.3 49.9 1.0
O C:HOH363 3.4 51.1 1.0
NH2 C:ARG273 3.5 46.5 1.0
CB C:SER301 3.8 46.7 1.0
CZ C:ARG273 3.8 46.0 1.0
CA C:GLU321 3.9 59.2 1.0
C C:GLU321 4.1 57.3 1.0
CG C:GLU321 4.1 60.9 1.0
O C:LEU322 4.1 49.5 1.0
CA C:LEU322 4.2 48.3 1.0
CB C:LEU322 4.2 47.1 1.0
CA C:SER301 4.3 45.2 1.0
N C:SER301 4.4 44.8 1.0
O C:GLU320 4.5 64.5 1.0
CB C:GLU321 4.5 60.9 1.0
C C:LEU322 4.6 48.7 1.0
O C:HOH537 4.7 69.2 1.0
OG C:SER301 4.7 48.5 1.0

Reference:

N.Empadinhas, P.J.B.Pereira, L.Albuquerque, J.Costa, B.Sa-Moura, A.T.Marques, S.Macedo-Ribeiro, M.S.Da Costa. Functional and Structural Characterization of A Novel Mannosyl-3-Phosphoglycerate Synthase From Rubrobacter Xylanophilus Reveals Its Dual Substrate Specificity Mol.Microbiol. V. 79 76 2011.
ISSN: ISSN 0950-382X
PubMed: 21166895
DOI: 10.1111/J.1365-2958.2010.07432.X
Page generated: Sat Jul 20 19:05:18 2024

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