Chlorine in PDB 7qc1: Crystal Structure of Prolyl-Trna Synthetase (Prors, Proline-Trna Ligase) From Plasmodium Falciparum in Complex with MAT436

Enzymatic activity of Crystal Structure of Prolyl-Trna Synthetase (Prors, Proline-Trna Ligase) From Plasmodium Falciparum in Complex with MAT436

All present enzymatic activity of Crystal Structure of Prolyl-Trna Synthetase (Prors, Proline-Trna Ligase) From Plasmodium Falciparum in Complex with MAT436:
6.1.1.15;

Protein crystallography data

The structure of Crystal Structure of Prolyl-Trna Synthetase (Prors, Proline-Trna Ligase) From Plasmodium Falciparum in Complex with MAT436, PDB code: 7qc1 was solved by C.Johansson, M.Tye, N.C.Payne, R.Mazitschek, U.C.T.Oppermann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 65.53 / 2.51
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 207.21, 207.21, 115.85, 90, 90, 90
R / Rfree (%) 19.1 / 23.3

Other elements in 7qc1:

The structure of Crystal Structure of Prolyl-Trna Synthetase (Prors, Proline-Trna Ligase) From Plasmodium Falciparum in Complex with MAT436 also contains other interesting chemical elements:

Bromine (Br) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Prolyl-Trna Synthetase (Prors, Proline-Trna Ligase) From Plasmodium Falciparum in Complex with MAT436 (pdb code 7qc1). 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 Prolyl-Trna Synthetase (Prors, Proline-Trna Ligase) From Plasmodium Falciparum in Complex with MAT436, PDB code: 7qc1:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 7qc1

Go back to Chlorine Binding Sites List in 7qc1
Chlorine binding site 1 out of 3 in the Crystal Structure of Prolyl-Trna Synthetase (Prors, Proline-Trna Ligase) From Plasmodium Falciparum in Complex with MAT436


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 Prolyl-Trna Synthetase (Prors, Proline-Trna Ligase) From Plasmodium Falciparum in Complex with MAT436 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl801

b:60.7
occ:1.00
CL A:9XM801 0.0 60.7 1.0
C A:9XM801 1.7 62.8 1.0
C35 A:9XM801 2.7 55.8 1.0
C1 A:9XM801 2.7 70.6 1.0
BR A:9XM801 3.3 83.5 1.0
CG A:PRO358 3.5 55.1 1.0
CG1 A:VAL339 3.8 82.9 1.0
C34 A:9XM801 4.0 56.4 1.0
C2 A:9XM801 4.0 63.8 1.0
CB A:PRO358 4.4 55.7 1.0
C3 A:9XM801 4.5 63.9 1.0
CD A:PRO358 4.7 58.6 1.0
CD1 A:LEU325 4.7 63.4 1.0

Chlorine binding site 2 out of 3 in 7qc1

Go back to Chlorine Binding Sites List in 7qc1
Chlorine binding site 2 out of 3 in the Crystal Structure of Prolyl-Trna Synthetase (Prors, Proline-Trna Ligase) From Plasmodium Falciparum in Complex with MAT436


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 Prolyl-Trna Synthetase (Prors, Proline-Trna Ligase) From Plasmodium Falciparum in Complex with MAT436 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl801

b:83.5
occ:1.00
CL D:9XM801 0.0 83.5 1.0
C D:9XM801 1.7 81.9 1.0
C35 D:9XM801 2.7 73.6 1.0
C1 D:9XM801 2.7 84.5 1.0
BR D:9XM801 3.3 106.9 1.0
CG D:PRO358 3.4 73.0 1.0
CG1 D:VAL339 3.8 90.2 1.0
C34 D:9XM801 4.0 72.7 1.0
C2 D:9XM801 4.0 78.6 1.0
O D:SER336 4.2 125.3 1.0
CB D:PRO358 4.2 66.0 1.0
C3 D:9XM801 4.5 77.5 1.0
CD D:PRO358 4.7 64.1 1.0
CD1 D:LEU325 4.8 80.9 1.0

Chlorine binding site 3 out of 3 in 7qc1

Go back to Chlorine Binding Sites List in 7qc1
Chlorine binding site 3 out of 3 in the Crystal Structure of Prolyl-Trna Synthetase (Prors, Proline-Trna Ligase) From Plasmodium Falciparum in Complex with MAT436


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 Prolyl-Trna Synthetase (Prors, Proline-Trna Ligase) From Plasmodium Falciparum in Complex with MAT436 within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Cl801

b:69.0
occ:1.00
CL I:9XM801 0.0 69.0 1.0
C I:9XM801 1.7 63.8 1.0
C35 I:9XM801 2.7 67.0 1.0
C1 I:9XM801 2.7 66.5 1.0
BR I:9XM801 3.3 89.9 1.0
CG I:PRO358 3.6 56.0 1.0
C34 I:9XM801 4.0 57.3 1.0
C2 I:9XM801 4.0 68.5 1.0
CG2 I:VAL339 4.2 95.4 1.0
C3 I:9XM801 4.5 59.0 1.0
CB I:PRO358 4.5 65.7 1.0
CD I:PRO358 4.8 57.3 1.0
N I:SER336 4.9 99.7 1.0
CD1 I:LEU325 5.0 63.8 1.0

Reference:

C.Johansson, M.Tye, N.C.Payne, R.Mazitschek, U.C.T.Oppermann. Crystal Structure of Prolyl-Trna Synthetase (Prors, Proline-Trna Ligase) From Plasmodium Falciparum in Complex with MAT436 To Be Published.
Page generated: Fri Dec 17 08:56:49 2021

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