Chlorine in PDB 7rjp: Crystal Structure of Human Bromodomain Containing Protein 4 (BRD4) in Complex with Shmt

Enzymatic activity of Crystal Structure of Human Bromodomain Containing Protein 4 (BRD4) in Complex with Shmt

All present enzymatic activity of Crystal Structure of Human Bromodomain Containing Protein 4 (BRD4) in Complex with Shmt:
2.1.2.1;

Protein crystallography data

The structure of Crystal Structure of Human Bromodomain Containing Protein 4 (BRD4) in Complex with Shmt, PDB code: 7rjp was solved by E.Fedorov, K.Islam, A.Ghosh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 25.07 / 1.25
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 43.043, 51.56, 57.384, 90, 90, 90
R / Rfree (%) 14.8 / 17.4

Other elements in 7rjp:

The structure of Crystal Structure of Human Bromodomain Containing Protein 4 (BRD4) in Complex with Shmt also contains other interesting chemical elements:

Sodium (Na) 8 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human Bromodomain Containing Protein 4 (BRD4) in Complex with Shmt (pdb code 7rjp). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Human Bromodomain Containing Protein 4 (BRD4) in Complex with Shmt, PDB code: 7rjp:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 7rjp

Go back to Chlorine Binding Sites List in 7rjp
Chlorine binding site 1 out of 4 in the Crystal Structure of Human Bromodomain Containing Protein 4 (BRD4) in Complex with Shmt


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 Human Bromodomain Containing Protein 4 (BRD4) in Complex with Shmt within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl210

b:24.9
occ:1.00
 H A:GLN59 2.1 7.2 0.5
H A:GLN59 2.1 7.2 0.6
HA A:ARG58 2.7 6.4 1.0
N A:GLN59 3.0 6.0 1.0
HB2 A:ARG58 3.1 6.1 1.0
OE1 A:GLN59 3.4 10.6 0.5
CA A:ARG58 3.4 5.3 1.0
HB2 A:GLN59 3.5 14.8 0.5
O A:HOH406 3.6 16.6 0.6
O A:GLN59 3.6 10.4 1.0
CB A:ARG58 3.7 5.0 1.0
C A:ARG58 3.7 6.4 1.0
O A:HOH411 3.9 29.9 1.0
CA A:GLN59 4.0 6.7 0.5
HB3 A:GLN59 4.0 14.8 0.6
CA A:GLN59 4.0 6.6 0.6
CD A:GLN59 4.0 11.0 0.5
HB3 A:ARG58 4.0 6.1 1.0
HB2 A:GLN59 4.1 14.8 0.6
CB A:GLN59 4.1 12.3 0.5
O A:HOH340 4.2 26.8 1.0
CB A:GLN59 4.2 12.4 0.6
C A:GLN59 4.2 6.9 1.0
O A:HOH406 4.4 15.0 0.4
O A:LYS57 4.7 7.2 1.0
NE2 A:GLN59 4.7 10.7 0.5
HE22 A:GLN59 4.7 12.8 0.5
CG A:GLN59 4.7 9.8 0.5
N A:ARG58 4.7 5.3 1.0
HA A:GLN59 4.8 8.0 0.5
HA A:GLN59 4.8 8.0 0.6
O A:ARG58 4.9 7.8 1.0
HB3 A:GLN59 4.9 14.8 0.5
CG A:ARG58 5.0 4.8 1.0

Chlorine binding site 2 out of 4 in 7rjp

Go back to Chlorine Binding Sites List in 7rjp
Chlorine binding site 2 out of 4 in the Crystal Structure of Human Bromodomain Containing Protein 4 (BRD4) in Complex with Shmt


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 Human Bromodomain Containing Protein 4 (BRD4) in Complex with Shmt within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl211

b:23.9
occ:1.00
 HZ2 A:LYS102 2.7 13.9 1.0
HZ1 A:LYS102 2.8 13.9 1.0
O A:HOH461 2.8 28.2 1.0
HZ3 A:LYS102 2.8 13.9 1.0
O A:HOH482 2.8 29.4 1.0
NZ A:LYS102 2.9 11.6 1.0
HA A:LYS99 3.1 13.7 1.0
HG2 A:LYS99 3.4 25.8 1.0
O A:TYR98 3.5 9.9 1.0
O A:HOH422 3.7 24.1 1.0
CA A:LYS99 4.0 11.4 1.0
C A:TYR98 4.1 8.8 1.0
N A:LYS99 4.2 9.5 1.0
HZ3 A:LYS99 4.3 39.9 1.0
CG A:LYS99 4.3 21.5 1.0
CE A:LYS102 4.4 8.7 1.0
HZ2 A:LYS99 4.5 39.9 1.0
HG3 A:LYS99 4.6 25.8 1.0
CB A:LYS99 4.6 13.6 1.0
HE3 A:LYS102 4.8 10.4 1.0
HB3 A:TYR98 4.8 10.2 1.0
H A:LYS99 4.8 11.4 1.0
HE2 A:LYS102 4.8 10.4 1.0
NZ A:LYS99 4.8 33.2 1.0
HB3 A:LYS99 4.9 16.3 1.0

Chlorine binding site 3 out of 4 in 7rjp

Go back to Chlorine Binding Sites List in 7rjp
Chlorine binding site 3 out of 4 in the Crystal Structure of Human Bromodomain Containing Protein 4 (BRD4) in Complex with Shmt


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 Human Bromodomain Containing Protein 4 (BRD4) in Complex with Shmt within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl212

b:31.3
occ:1.00
 HB3 A:TRP81 2.6 9.7 1.0
H A:TRP81 2.7 8.8 1.0
HD1 A:TRP81 2.7 12.9 1.0
O A:HOH362 2.7 11.8 1.0
O A:HOH339 2.8 23.8 1.0
HB3 A:ALA80 3.1 9.7 1.0
N A:TRP81 3.2 7.3 1.0
H A:ALA80 3.2 8.0 1.0
CB A:TRP81 3.4 8.1 1.0
O A:HIS77 3.4 8.3 1.0
CD1 A:TRP81 3.5 10.8 1.0
O A:GLN78 3.5 10.7 1.0
N A:ALA80 3.7 6.6 1.0
CA A:TRP81 3.7 7.0 1.0
O A:HOH375 3.8 26.5 1.0
CG A:TRP81 3.8 9.0 1.0
HA A:TRP81 3.9 8.4 1.0
HA A:GLN78 3.9 10.5 1.0
C A:GLN78 3.9 8.7 1.0
CB A:ALA80 4.0 8.1 1.0
C A:ALA80 4.0 7.2 1.0
CA A:ALA80 4.1 7.4 1.0
HB2 A:TRP81 4.2 9.7 1.0
HE22 A:GLN84 4.2 10.9 1.0
O A:HOH470 4.2 22.3 1.0
HB2 A:ALA80 4.4 9.7 1.0
CA A:GLN78 4.4 8.8 1.0
NE2 A:GLN84 4.5 9.1 1.0
C A:HIS77 4.6 7.8 1.0
C A:PHE79 4.6 7.6 1.0
OE1 A:GLN84 4.6 8.9 1.0
N A:PHE79 4.6 7.8 1.0
HB1 A:ALA80 4.7 9.7 1.0
O A:HOH434 4.7 15.4 1.0
NE1 A:TRP81 4.8 13.1 1.0
CD A:GLN84 4.8 7.3 1.0
O A:TRP75 4.9 8.6 1.0
HE21 A:GLN84 4.9 10.9 1.0
HA A:PHE79 4.9 9.6 1.0
CA A:PHE79 5.0 8.0 1.0

Chlorine binding site 4 out of 4 in 7rjp

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Chlorine binding site 4 out of 4 in the Crystal Structure of Human Bromodomain Containing Protein 4 (BRD4) in Complex with Shmt


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 Human Bromodomain Containing Protein 4 (BRD4) in Complex with Shmt within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl301

b:34.6
occ:1.00
 H B:GLY272 2.2 15.0 1.0
O A:HOH421 2.4 25.1 1.0
N B:ARG270 2.6 29.1 1.0
N B:GLY272 3.0 12.5 1.0
HA2 B:GLY272 3.1 14.9 1.0
N B:ALY271 3.3 14.9 1.0
CA B:ARG270 3.4 20.3 1.0
HA B:ARG270 3.5 24.3 1.0
O A:HOH347 3.5 11.5 1.0
C B:ARG270 3.5 19.8 1.0
CA B:GLY272 3.5 12.4 1.0
OD2 A:ASP144 3.7 13.5 1.0
OD1 A:ASP144 3.8 16.1 1.0
CG A:ASP144 3.9 12.9 1.0
C B:ALY271 4.1 12.7 1.0
CA B:ALY271 4.2 11.2 1.0
O B:HOH401 4.2 31.4 1.0
HA3 B:GLY272 4.3 14.9 1.0
O B:ARG270 4.4 23.2 1.0
C B:GLY272 4.5 10.9 1.0
HB3 A:ASP144 4.6 14.5 1.0
O B:GLY272 4.7 11.3 1.0
O B:HOH405 4.8 8.6 1.0
CB A:ASP144 4.8 12.1 1.0
CB B:ARG270 4.8 24.4 1.0
O A:HOH399 4.9 12.6 1.0
HCA B:ALY271 4.9 13.4 1.0
HB3 B:ALY271 4.9 13.0 1.0

Reference:

S.Wagner, E.Fedorov, B.Sudhamalla, H.N.Jnawali, R.Debiec, A.Ghosh, K.Islam. Uncovering the Bromodomain Interactome Using Site-Specific Azide-Acetyllysine Photochemistry, Proteomic Profiling and Structural Characterization To Be Published.
Page generated: Tue Apr 4 21:36:52 2023

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