Chlorine in PDB 7pd5: Crystal Structure of Mycobacterium Hassiacum Glucosyl-3- Phosphoglycerate Synthase at pH 5.5 in Complex with 4-Aminobenzoic Acid

Enzymatic activity of Crystal Structure of Mycobacterium Hassiacum Glucosyl-3- Phosphoglycerate Synthase at pH 5.5 in Complex with 4-Aminobenzoic Acid

All present enzymatic activity of Crystal Structure of Mycobacterium Hassiacum Glucosyl-3- Phosphoglycerate Synthase at pH 5.5 in Complex with 4-Aminobenzoic Acid:
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 4-Aminobenzoic Acid, PDB code: 7pd5 was solved by A.Silva, D.Nunes-Costa, 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) 46.65 / 1.95
Space group I 41
Cell size a, b, c (Å), α, β, γ (°) 100.272, 100.272, 123.88, 90, 90, 90
R / Rfree (%) 18.7 / 21.1

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 4-Aminobenzoic Acid (pdb code 7pd5). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of Mycobacterium Hassiacum Glucosyl-3- Phosphoglycerate Synthase at pH 5.5 in Complex with 4-Aminobenzoic Acid, PDB code: 7pd5:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 7pd5

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Chlorine binding site 1 out of 5 in the Crystal Structure of Mycobacterium Hassiacum Glucosyl-3- Phosphoglycerate Synthase at pH 5.5 in Complex with 4-Aminobenzoic Acid


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 4-Aminobenzoic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl403

b:54.7
occ:1.00
 O A:HOH523 3.2 54.6 1.0
N A:ALA106 3.6 59.4 1.0
CB A:ALA106 3.8 59.1 1.0
CG1 A:VAL105 4.3 54.2 1.0
CA A:ALA106 4.3 58.1 1.0
O A:ALA106 4.3 58.5 1.0
C A:VAL105 4.6 60.9 1.0
CA A:VAL105 4.6 53.1 1.0
C A:ALA106 4.8 57.9 1.0

Chlorine binding site 2 out of 5 in 7pd5

Go back to Chlorine Binding Sites List in 7pd5
Chlorine binding site 2 out of 5 in the Crystal Structure of Mycobacterium Hassiacum Glucosyl-3- Phosphoglycerate Synthase at pH 5.5 in Complex with 4-Aminobenzoic Acid


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 4-Aminobenzoic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl404

b:71.4
occ:1.00
 O4 A:BTB402 3.2 75.7 0.9
OG1 A:THR181 3.2 68.5 1.0
N A:THR181 3.4 61.0 1.0
CA A:GLY178 3.5 76.7 1.0
N A:VAL180 3.8 58.4 1.0
CB A:VAL180 3.8 56.0 1.0
C A:GLY178 3.8 75.9 1.0
NH2 A:ARG255 3.9 102.6 1.0
CB A:THR181 3.9 70.7 1.0
CA A:VAL180 4.1 56.8 1.0
N A:ARG179 4.1 67.2 1.0
O A:GLY177 4.2 92.0 1.0
C A:VAL180 4.2 63.1 1.0
C4 A:BTB402 4.3 71.0 0.9
CA A:THR181 4.3 63.2 1.0
O A:GLY178 4.4 76.8 1.0
CG2 A:VAL180 4.5 57.0 1.0
CD1 A:LEU203 4.5 60.4 1.0
NH1 A:ARG255 4.6 104.4 1.0
N A:GLY178 4.6 92.2 1.0
C A:ARG179 4.7 62.4 1.0
CZ A:ARG255 4.7 110.3 1.0
O A:HOH579 4.8 65.0 1.0
C A:GLY177 4.8 103.7 1.0
CG1 A:VAL180 5.0 51.7 1.0

Chlorine binding site 3 out of 5 in 7pd5

Go back to Chlorine Binding Sites List in 7pd5
Chlorine binding site 3 out of 5 in the Crystal Structure of Mycobacterium Hassiacum Glucosyl-3- Phosphoglycerate Synthase at pH 5.5 in Complex with 4-Aminobenzoic Acid


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 4-Aminobenzoic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl405

b:105.1
occ:1.00
 O A:SER22 2.8 84.0 1.0
O A:THR19 2.9 100.2 1.0
C A:THR19 3.8 95.8 1.0
CA A:THR19 3.9 94.8 1.0
C A:SER22 4.0 83.7 1.0
O A:LEU18 4.0 92.5 1.0
O A:HOH572 4.5 80.1 1.0
CG2 A:THR19 4.6 97.7 1.0
CA A:TRP23 4.8 85.4 1.0
N A:THR24 4.8 88.1 0.0
CB A:THR19 4.8 97.2 1.0
N A:THR24 4.8 88.3 1.0
OG1 A:THR24 4.8 98.9 0.0
N A:THR19 4.8 91.3 1.0
N A:TRP23 4.9 81.1 1.0
C A:LEU18 4.9 93.7 1.0
OG1 A:THR24 4.9 99.0 1.0

Chlorine binding site 4 out of 5 in 7pd5

Go back to Chlorine Binding Sites List in 7pd5
Chlorine binding site 4 out of 5 in the Crystal Structure of Mycobacterium Hassiacum Glucosyl-3- Phosphoglycerate Synthase at pH 5.5 in Complex with 4-Aminobenzoic Acid


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 Mycobacterium Hassiacum Glucosyl-3- Phosphoglycerate Synthase at pH 5.5 in Complex with 4-Aminobenzoic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl406

b:74.8
occ:1.00
 N A:ALA9 3.0 89.2 1.0
CA A:THR8 3.6 92.5 1.0
C A:THR8 3.8 94.5 1.0
CB A:THR8 3.8 95.5 1.0
CB A:ALA9 3.9 83.9 1.0
CA A:ALA9 4.0 90.7 1.0
CG2 A:THR8 4.4 97.2 1.0
O A:LEU7 4.8 91.7 1.0
N A:THR8 4.9 94.9 1.0

Chlorine binding site 5 out of 5 in 7pd5

Go back to Chlorine Binding Sites List in 7pd5
Chlorine binding site 5 out of 5 in the Crystal Structure of Mycobacterium Hassiacum Glucosyl-3- Phosphoglycerate Synthase at pH 5.5 in Complex with 4-Aminobenzoic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Mycobacterium Hassiacum Glucosyl-3- Phosphoglycerate Synthase at pH 5.5 in Complex with 4-Aminobenzoic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl407

b:95.1
occ:1.00
 NH1 A:ARG236 2.9 74.1 1.0
CA A:LEU213 3.7 61.6 1.0
N A:LEU213 3.8 61.1 1.0
CB A:LEU213 4.0 63.5 1.0
CZ A:ARG236 4.0 81.7 1.0
CD1 A:LEU237 4.1 67.0 1.0
CD2 A:LEU237 4.2 64.0 1.0
C A:GLU212 4.3 62.7 1.0
NH2 A:ARG236 4.4 80.3 1.0
CD1 A:LEU213 4.4 60.6 1.0
O A:GLU212 4.6 59.1 1.0
CB A:GLU212 4.6 59.2 1.0
CG A:LEU237 4.6 68.1 1.0
OG A:SER216 4.8 68.2 1.0
CG A:LEU213 4.8 60.0 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 4-Aminobenzoic Acid To Be Published.
Page generated: Tue Jul 30 02:21:42 2024

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