Chlorine in PDB 7pe4: Crystal Structure of Mycobacterium Hassiacum Glucosyl-3- Phosphoglycerate Synthase at pH 5.5 in Complex with Udp-Glucose

Enzymatic activity of Crystal Structure of Mycobacterium Hassiacum Glucosyl-3- Phosphoglycerate Synthase at pH 5.5 in Complex with Udp-Glucose

All present enzymatic activity of Crystal Structure of Mycobacterium Hassiacum Glucosyl-3- Phosphoglycerate Synthase at pH 5.5 in Complex with Udp-Glucose:
2.4.1.266;

Protein crystallography data

The structure of Crystal Structure of Mycobacterium Hassiacum Glucosyl-3- Phosphoglycerate Synthase at pH 5.5 in Complex with Udp-Glucose, PDB code: 7pe4 was solved by A.Silva, P.J.Babosa Pereira, S.Macedo-Ribeiro, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.58 / 2.05
Space group I 41
Cell size a, b, c (Å), α, β, γ (°) 101.887, 101.887, 122.098, 90, 90, 90
R / Rfree (%) 16 / 19.2

Other elements in 7pe4:

The structure of Crystal Structure of Mycobacterium Hassiacum Glucosyl-3- Phosphoglycerate Synthase at pH 5.5 in Complex with Udp-Glucose also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Mycobacterium Hassiacum Glucosyl-3- Phosphoglycerate Synthase at pH 5.5 in Complex with Udp-Glucose (pdb code 7pe4). 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 Mycobacterium Hassiacum Glucosyl-3- Phosphoglycerate Synthase at pH 5.5 in Complex with Udp-Glucose, PDB code: 7pe4:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 7pe4

Go back to Chlorine Binding Sites List in 7pe4
Chlorine binding site 1 out of 3 in the Crystal Structure of Mycobacterium Hassiacum Glucosyl-3- Phosphoglycerate Synthase at pH 5.5 in Complex with Udp-Glucose


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 Mycobacterium Hassiacum Glucosyl-3- Phosphoglycerate Synthase at pH 5.5 in Complex with Udp-Glucose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl403

b:42.4
occ:1.00
 O A:HOH591 2.9 57.1 1.0
OG1 A:THR181 3.1 38.1 1.0
NH2 A:ARG255 3.2 65.4 1.0
N A:THR181 3.2 35.3 1.0
CA A:GLY178 3.5 46.4 1.0
N A:VAL180 3.6 35.8 1.0
C A:GLY178 3.7 42.5 1.0
CB A:THR181 3.8 40.5 1.0
CB A:VAL180 3.8 35.4 1.0
N A:ARG179 3.9 42.2 1.0
CA A:VAL180 4.0 38.0 1.0
C A:VAL180 4.1 37.0 1.0
CA A:THR181 4.1 42.0 1.0
O A:GLY178 4.2 43.8 1.0
NE2 A:HIS252 4.2 92.1 1.0
CZ A:ARG255 4.3 71.3 1.0
O A:HOH583 4.4 42.4 1.0
CE1 A:HIS252 4.4 89.9 1.0
CG2 A:VAL180 4.5 34.4 1.0
C A:ARG179 4.5 36.1 1.0
CD1 A:LEU203 4.5 30.3 1.0
NH1 A:ARG255 4.6 68.5 1.0
N A:GLY178 4.7 65.5 1.0
CA A:ARG179 4.8 39.5 1.0
O A:HOH677 4.9 36.5 1.0
CG1 A:VAL180 5.0 30.7 1.0

Chlorine binding site 2 out of 3 in 7pe4

Go back to Chlorine Binding Sites List in 7pe4
Chlorine binding site 2 out of 3 in the Crystal Structure of Mycobacterium Hassiacum Glucosyl-3- Phosphoglycerate Synthase at pH 5.5 in Complex with Udp-Glucose


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 Mycobacterium Hassiacum Glucosyl-3- Phosphoglycerate Synthase at pH 5.5 in Complex with Udp-Glucose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl406

b:33.5
occ:1.00
 O A:HOH618 3.2 30.6 1.0
O A:HOH537 3.3 33.3 1.0
CG A:ARG87 3.5 33.6 1.0
CD A:ARG87 3.6 34.5 1.0
CB A:ARG87 3.7 35.8 1.0
NE A:ARG87 4.0 34.8 1.0
NH1 A:ARG87 4.0 35.4 1.0
CZ A:ARG87 4.2 39.5 1.0
O A:HOH504 4.4 36.9 1.0
O A:HOH718 4.4 44.2 1.0
O A:GLU52 4.5 32.0 1.0
CA A:ARG87 4.6 33.8 1.0
O A:HOH626 4.7 34.9 1.0
O A:ARG87 4.9 31.7 1.0

Chlorine binding site 3 out of 3 in 7pe4

Go back to Chlorine Binding Sites List in 7pe4
Chlorine binding site 3 out of 3 in the Crystal Structure of Mycobacterium Hassiacum Glucosyl-3- Phosphoglycerate Synthase at pH 5.5 in Complex with Udp-Glucose


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 Mycobacterium Hassiacum Glucosyl-3- Phosphoglycerate Synthase at pH 5.5 in Complex with Udp-Glucose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl408

b:70.1
occ:1.00
 NH1 A:ARG98 3.1 33.7 1.0
N A:PRO109 3.5 33.5 1.0
O A:HOH721 3.7 64.0 1.0
CA A:PRO109 3.7 35.8 1.0
C A:GLN108 3.7 31.1 1.0
NH2 A:ARG98 3.7 33.2 1.0
CD A:PRO109 3.8 37.4 1.0
CZ A:ARG98 3.8 35.0 1.0
CB A:PRO109 3.9 34.2 1.0
O A:GLN108 4.0 31.6 1.0
O A:PRO107 4.2 39.3 1.0
O A:HOH603 4.2 48.6 1.0
CG A:PRO109 4.3 40.6 1.0
CA A:GLN108 4.4 36.7 1.0
C A:PRO107 4.5 35.0 1.0
CB A:PRO107 4.7 38.2 1.0
N A:GLN108 4.7 38.6 1.0
O A:HOH553 4.9 40.9 1.0
O A:HOH511 4.9 32.5 1.0

Reference:

A.Silva, D.Nunes-Costa, N.Empadinhas, P.J.Babosa Pereira, S.Macedo-Ribeiro. Crystal Structure of Mycobacterium Hassiacum Glucosyl-3-Phosphoglycerate Synthase at pH 5.5 in Complex with Udp-Glucose To Be Published.
Page generated: Tue Jul 30 02:22:19 2024

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