Atomistry » Bromine » PDB 6rqb-6ts9 » 6t8x
Atomistry »
  Bromine »
    PDB 6rqb-6ts9 »
      6t8x »

Bromine in PDB 6t8x: Crystal Structure of MAPKAPK2 (MK2) Complexed with Pf-3644022 and 5- (4-Bromophenyl)-N-[4-(1-Piperazinyl)Phenyl]-N-(2-Pyridinylmethyl)-2- Furancarboxamide

Enzymatic activity of Crystal Structure of MAPKAPK2 (MK2) Complexed with Pf-3644022 and 5- (4-Bromophenyl)-N-[4-(1-Piperazinyl)Phenyl]-N-(2-Pyridinylmethyl)-2- Furancarboxamide

All present enzymatic activity of Crystal Structure of MAPKAPK2 (MK2) Complexed with Pf-3644022 and 5- (4-Bromophenyl)-N-[4-(1-Piperazinyl)Phenyl]-N-(2-Pyridinylmethyl)-2- Furancarboxamide:
2.7.11.1;

Protein crystallography data

The structure of Crystal Structure of MAPKAPK2 (MK2) Complexed with Pf-3644022 and 5- (4-Bromophenyl)-N-[4-(1-Piperazinyl)Phenyl]-N-(2-Pyridinylmethyl)-2- Furancarboxamide, PDB code: 6t8x was solved by E.J.Beaumont, J.Barker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 120.00 / 2.81
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 131.531, 287.339, 148.407, 90, 90, 90
R / Rfree (%) 22.8 / 24.7

Other elements in 6t8x:

The structure of Crystal Structure of MAPKAPK2 (MK2) Complexed with Pf-3644022 and 5- (4-Bromophenyl)-N-[4-(1-Piperazinyl)Phenyl]-N-(2-Pyridinylmethyl)-2- Furancarboxamide also contains other interesting chemical elements:

Chlorine (Cl) 6 atoms

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of MAPKAPK2 (MK2) Complexed with Pf-3644022 and 5- (4-Bromophenyl)-N-[4-(1-Piperazinyl)Phenyl]-N-(2-Pyridinylmethyl)-2- Furancarboxamide (pdb code 6t8x). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 6 binding sites of Bromine where determined in the Crystal Structure of MAPKAPK2 (MK2) Complexed with Pf-3644022 and 5- (4-Bromophenyl)-N-[4-(1-Piperazinyl)Phenyl]-N-(2-Pyridinylmethyl)-2- Furancarboxamide, PDB code: 6t8x:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6;

Bromine binding site 1 out of 6 in 6t8x

Go back to Bromine Binding Sites List in 6t8x
Bromine binding site 1 out of 6 in the Crystal Structure of MAPKAPK2 (MK2) Complexed with Pf-3644022 and 5- (4-Bromophenyl)-N-[4-(1-Piperazinyl)Phenyl]-N-(2-Pyridinylmethyl)-2- Furancarboxamide


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 MAPKAPK2 (MK2) Complexed with Pf-3644022 and 5- (4-Bromophenyl)-N-[4-(1-Piperazinyl)Phenyl]-N-(2-Pyridinylmethyl)-2- Furancarboxamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br403

b:124.3
occ:1.00
 BR1 A:MW8403 0.0 124.3 1.0
C2 A:MW8403 1.9 123.7 1.0
C3 A:MW8403 2.8 123.5 1.0
C7 A:MW8403 2.9 123.3 1.0
OH D:TYR229 3.6 85.1 1.0
CD1 A:PHE147 3.8 92.8 1.0
CG2 A:ILE150 3.8 94.6 1.0
CG A:PRO189 3.9 72.8 1.0
O D:HOH502 4.0 78.0 1.0
CE1 A:PHE147 4.1 93.8 1.0
CD1 A:ILE150 4.1 95.8 1.0
C4 A:MW8403 4.1 123.1 1.0
CB A:PRO189 4.1 72.5 1.0
C6 A:MW8403 4.2 123.0 1.0
CG2 A:ILE255 4.2 80.8 1.0
CD1 A:ILE255 4.3 80.1 1.0
CB A:ILE150 4.4 94.5 1.0
C5 A:MW8403 4.7 122.8 1.0
CG A:PHE147 4.7 91.5 1.0
CA A:PHE147 4.8 89.8 1.0
CD A:PRO189 4.8 71.6 1.0
CG1 A:ILE150 4.9 94.8 1.0
CZ D:TYR229 4.9 83.3 1.0
O A:PHE147 5.0 92.1 1.0

Bromine binding site 2 out of 6 in 6t8x

Go back to Bromine Binding Sites List in 6t8x
Bromine binding site 2 out of 6 in the Crystal Structure of MAPKAPK2 (MK2) Complexed with Pf-3644022 and 5- (4-Bromophenyl)-N-[4-(1-Piperazinyl)Phenyl]-N-(2-Pyridinylmethyl)-2- Furancarboxamide


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 MAPKAPK2 (MK2) Complexed with Pf-3644022 and 5- (4-Bromophenyl)-N-[4-(1-Piperazinyl)Phenyl]-N-(2-Pyridinylmethyl)-2- Furancarboxamide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br403

b:110.0
occ:1.00
 BR1 B:MW8403 0.0 110.0 1.0
C2 B:MW8403 1.9 107.1 1.0
C3 B:MW8403 2.9 105.9 1.0
C7 B:MW8403 2.9 105.6 1.0
OH A:TYR229 3.5 85.8 1.0
CD1 B:PHE147 3.7 93.4 1.0
CG B:PRO189 3.7 72.5 1.0
CE1 B:PHE147 3.9 94.3 1.0
CG2 B:ILE150 4.0 90.2 1.0
CG2 B:ILE255 4.1 71.2 1.0
C4 B:MW8403 4.2 104.9 1.0
C6 B:MW8403 4.2 104.8 1.0
CB B:PRO189 4.2 72.1 1.0
CD1 B:ILE150 4.3 91.6 1.0
CD1 B:ILE255 4.3 70.8 1.0
CB B:ILE150 4.6 90.3 1.0
C5 B:MW8403 4.7 104.5 1.0
CG B:PHE147 4.7 92.3 1.0
CZ A:TYR229 4.8 84.7 1.0
CD B:PRO189 4.8 71.0 1.0
CA B:PHE147 5.0 90.8 1.0

Bromine binding site 3 out of 6 in 6t8x

Go back to Bromine Binding Sites List in 6t8x
Bromine binding site 3 out of 6 in the Crystal Structure of MAPKAPK2 (MK2) Complexed with Pf-3644022 and 5- (4-Bromophenyl)-N-[4-(1-Piperazinyl)Phenyl]-N-(2-Pyridinylmethyl)-2- Furancarboxamide


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 MAPKAPK2 (MK2) Complexed with Pf-3644022 and 5- (4-Bromophenyl)-N-[4-(1-Piperazinyl)Phenyl]-N-(2-Pyridinylmethyl)-2- Furancarboxamide within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Br403

b:117.3
occ:1.00
 BR1 C:MW8403 0.0 117.3 1.0
C2 C:MW8403 1.9 116.9 1.0
C3 C:MW8403 2.8 116.7 1.0
C7 C:MW8403 2.9 116.5 1.0
CD1 C:PHE147 3.6 82.0 1.0
CE1 C:PHE147 3.8 83.0 1.0
O C:HOH501 3.9 78.8 1.0
CG2 C:ILE150 4.1 85.9 1.0
CD1 C:ILE255 4.1 79.3 1.0
CG C:PRO189 4.1 72.6 1.0
C4 C:MW8403 4.1 116.4 1.0
CG2 C:ILE255 4.2 76.5 1.0
C6 C:MW8403 4.2 116.1 1.0
CD1 C:ILE150 4.5 86.3 1.0
CB C:ILE150 4.5 85.8 1.0
CB C:PRO189 4.6 72.2 1.0
C5 C:MW8403 4.7 116.2 1.0
CG C:PHE147 4.8 81.4 1.0
CD C:PRO189 4.9 71.2 1.0
CZ C:PHE147 5.0 83.0 1.0

Bromine binding site 4 out of 6 in 6t8x

Go back to Bromine Binding Sites List in 6t8x
Bromine binding site 4 out of 6 in the Crystal Structure of MAPKAPK2 (MK2) Complexed with Pf-3644022 and 5- (4-Bromophenyl)-N-[4-(1-Piperazinyl)Phenyl]-N-(2-Pyridinylmethyl)-2- Furancarboxamide


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Crystal Structure of MAPKAPK2 (MK2) Complexed with Pf-3644022 and 5- (4-Bromophenyl)-N-[4-(1-Piperazinyl)Phenyl]-N-(2-Pyridinylmethyl)-2- Furancarboxamide within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Br403

b:136.4
occ:1.00
 BR1 D:MW8403 0.0 136.4 1.0
C2 D:MW8403 1.9 135.4 1.0
C3 D:MW8403 2.8 134.9 1.0
C7 D:MW8403 2.9 134.8 1.0
CD1 D:PHE147 3.5 103.8 1.0
OH B:TYR229 3.6 95.6 1.0
CG2 D:ILE150 3.7 102.3 1.0
CE1 D:PHE147 3.7 104.5 1.0
CG D:PRO189 3.7 82.0 1.0
C4 D:MW8403 4.1 134.5 1.0
C6 D:MW8403 4.2 134.3 1.0
CD1 D:ILE150 4.3 103.8 1.0
CG2 D:ILE255 4.3 78.2 1.0
CD1 D:ILE255 4.4 80.0 1.0
CB D:PRO189 4.5 81.3 1.0
CG D:PHE147 4.6 102.9 1.0
CB D:ILE150 4.6 102.1 1.0
C5 D:MW8403 4.7 134.0 1.0
CA D:PHE147 4.9 102.0 1.0
CZ D:PHE147 4.9 104.4 1.0
CZ B:TYR229 4.9 93.5 1.0
CD D:PRO189 5.0 80.4 1.0

Bromine binding site 5 out of 6 in 6t8x

Go back to Bromine Binding Sites List in 6t8x
Bromine binding site 5 out of 6 in the Crystal Structure of MAPKAPK2 (MK2) Complexed with Pf-3644022 and 5- (4-Bromophenyl)-N-[4-(1-Piperazinyl)Phenyl]-N-(2-Pyridinylmethyl)-2- Furancarboxamide


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Crystal Structure of MAPKAPK2 (MK2) Complexed with Pf-3644022 and 5- (4-Bromophenyl)-N-[4-(1-Piperazinyl)Phenyl]-N-(2-Pyridinylmethyl)-2- Furancarboxamide within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Br403

b:114.0
occ:1.00
 BR1 E:MW8403 0.0 114.0 1.0
C2 E:MW8403 1.9 112.2 1.0
C3 E:MW8403 2.9 111.3 1.0
C7 E:MW8403 2.9 111.1 1.0
CD1 E:PHE147 3.6 92.6 1.0
CE1 E:PHE147 3.9 93.6 1.0
CG E:PRO189 3.9 81.2 1.0
CG2 E:ILE150 4.0 96.9 1.0
C4 E:MW8403 4.2 110.4 1.0
C6 E:MW8403 4.2 110.3 1.0
CD1 E:ILE150 4.2 98.1 1.0
CB E:PRO189 4.3 80.8 1.0
CG2 E:ILE255 4.3 88.5 1.0
CD1 E:ILE255 4.4 89.8 1.0
CD E:PRO189 4.6 79.7 1.0
CG E:PHE147 4.6 91.7 1.0
CB E:ILE150 4.6 96.7 1.0
C5 E:MW8403 4.7 109.7 1.0
CA E:PHE147 4.7 91.3 1.0
CB E:PHE147 5.0 91.0 1.0

Bromine binding site 6 out of 6 in 6t8x

Go back to Bromine Binding Sites List in 6t8x
Bromine binding site 6 out of 6 in the Crystal Structure of MAPKAPK2 (MK2) Complexed with Pf-3644022 and 5- (4-Bromophenyl)-N-[4-(1-Piperazinyl)Phenyl]-N-(2-Pyridinylmethyl)-2- Furancarboxamide


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Crystal Structure of MAPKAPK2 (MK2) Complexed with Pf-3644022 and 5- (4-Bromophenyl)-N-[4-(1-Piperazinyl)Phenyl]-N-(2-Pyridinylmethyl)-2- Furancarboxamide within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Br403

b:142.7
occ:1.00
 BR1 F:MW8403 0.0 142.7 1.0
C2 F:MW8403 1.9 141.1 1.0
C3 F:MW8403 2.8 140.3 1.0
C7 F:MW8403 2.9 140.4 1.0
OH E:TYR229 3.8 111.8 1.0
CG2 F:ILE150 3.8 112.9 1.0
CD1 F:PHE147 3.8 109.9 1.0
CG2 F:ILE255 3.9 102.2 1.0
CE1 F:PHE147 4.0 110.9 1.0
CG F:PRO189 4.1 91.2 1.0
C4 F:MW8403 4.1 139.7 1.0
CD1 F:ILE255 4.2 103.5 1.0
CD1 F:ILE150 4.2 114.8 1.0
C6 F:MW8403 4.2 139.8 1.0
CB F:ILE150 4.5 112.5 1.0
CB F:PRO189 4.6 90.7 1.0
C5 F:MW8403 4.7 139.4 1.0
CG F:PHE147 4.9 108.8 1.0
CB F:ILE255 4.9 101.7 1.0
CG1 F:ILE150 4.9 113.4 1.0
CG1 F:ILE255 5.0 102.5 1.0

Reference:

E.J.Beaumont, J.Barker. Crystal Structure of MAPKAPK2 (MK2) Complexed with Pf-3644022 and 5-(4-Bromophenyl)-N-[4-(1-Piperazinyl) Phenyl]-N-(2-Pyridinylmethyl)-2-Furancarboxamide To Be Published.
Page generated: Mon Jul 7 10:24:22 2025

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy