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Bromine 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:

Chlorine (Cl) 3 atoms

Bromine Binding Sites:

The binding sites of Bromine 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 Bromine atom.
In total 3 binding sites of Bromine 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 Bromine binding site number: 1; 2; 3;

Bromine binding site 1 out of 3 in 7qc1

Go back to Bromine Binding Sites List in 7qc1
Bromine 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 Bromine with other atoms in the Br 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:Br801

b:83.5
occ:1.00
 BR A:9XM801 0.0 83.5 1.0
C1 A:9XM801 1.9 70.6 1.0
C2 A:9XM801 2.8 63.8 1.0
C A:9XM801 2.9 62.8 1.0
CL A:9XM801 3.3 60.7 1.0
CG1 A:VAL339 3.5 82.9 1.0
CB A:PRO358 3.8 55.7 1.0
C A:GLU338 3.8 79.7 1.0
N A:VAL339 3.9 70.8 1.0
CG A:PRO358 4.0 55.1 1.0
N A:GLU338 4.0 98.3 1.0
O A:GLU338 4.1 68.2 1.0
C3 A:9XM801 4.1 63.9 1.0
C35 A:9XM801 4.2 55.8 1.0
CA A:GLU338 4.2 89.3 1.0
CB A:GLU338 4.3 93.9 1.0
CA A:VAL339 4.3 73.3 1.0
O A:HOH909 4.3 88.1 1.0
CG A:ARG390 4.5 59.7 1.0
CB A:VAL339 4.5 71.3 1.0
C34 A:9XM801 4.7 56.4 1.0
N A:PRO337 4.8 102.3 1.0
CB A:ARG390 4.8 57.6 1.0
OE1 A:GLU338 5.0 103.7 1.0

Bromine binding site 2 out of 3 in 7qc1

Go back to Bromine Binding Sites List in 7qc1
Bromine 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 Bromine with other atoms in the Br 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:Br801

b:106.9
occ:1.00
 BR D:9XM801 0.0 106.9 1.0
C1 D:9XM801 1.9 84.5 1.0
C2 D:9XM801 2.8 78.6 1.0
C D:9XM801 2.9 81.9 1.0
CL D:9XM801 3.3 83.5 1.0
CG1 D:VAL339 3.4 90.2 1.0
CG D:GLU338 3.6 107.8 1.0
O D:SER336 3.7 125.3 1.0
CB D:PRO358 3.8 66.0 1.0
C D:GLU338 4.0 103.4 1.0
N D:VAL339 4.1 103.1 1.0
N D:GLU338 4.1 124.6 1.0
CG D:PRO358 4.1 73.0 1.0
C3 D:9XM801 4.1 77.5 1.0
O D:HOH903 4.2 95.1 1.0
C35 D:9XM801 4.2 73.6 1.0
O D:GLU338 4.2 85.5 1.0
CA D:VAL339 4.4 102.4 1.0
CA D:GLU338 4.4 111.7 1.0
CB D:VAL339 4.5 95.1 1.0
CG D:ARG390 4.6 70.9 1.0
OE2 D:GLU338 4.6 114.5 1.0
CB D:GLU338 4.6 101.6 1.0
C34 D:9XM801 4.7 72.7 1.0
CD D:GLU338 4.7 117.1 1.0
CB D:ARG390 4.8 66.1 1.0
C D:SER336 4.9 136.7 1.0

Bromine binding site 3 out of 3 in 7qc1

Go back to Bromine Binding Sites List in 7qc1
Bromine 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 Bromine with other atoms in the Br 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:Br801

b:89.9
occ:1.00
 BR I:9XM801 0.0 89.9 1.0
C1 I:9XM801 1.9 66.5 1.0
C2 I:9XM801 2.8 68.5 1.0
C I:9XM801 2.9 63.8 1.0
CL I:9XM801 3.3 69.0 1.0
CG2 I:VAL339 3.6 95.4 1.0
O I:GLU338 3.9 84.4 1.0
CB I:PRO358 3.9 65.7 1.0
C I:GLU338 4.0 93.6 1.0
CG I:PRO358 4.1 56.0 1.0
CB I:GLU338 4.1 83.0 1.0
C3 I:9XM801 4.1 59.0 1.0
C35 I:9XM801 4.2 67.0 1.0
N I:VAL339 4.4 91.2 1.0
N I:SER336 4.5 99.7 1.0
CA I:GLU338 4.5 94.5 1.0
CG I:ARG390 4.6 58.4 1.0
CA I:VAL339 4.6 87.1 1.0
C34 I:9XM801 4.7 57.3 1.0
CB I:VAL339 4.7 83.5 1.0
N I:GLU338 4.8 102.6 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: Mon Jul 7 11:40:51 2025

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