Atomistry » Bromine » PDB 6yod-7akh » 6ysj
Atomistry »
  Bromine »
    PDB 6yod-7akh »
      6ysj »

Bromine in PDB 6ysj: Thrombin in Complex with 2-Amino-1-(4-Bromophenyl)Ethan-1-One (J10)

Enzymatic activity of Thrombin in Complex with 2-Amino-1-(4-Bromophenyl)Ethan-1-One (J10)

All present enzymatic activity of Thrombin in Complex with 2-Amino-1-(4-Bromophenyl)Ethan-1-One (J10):
3.4.21.5;

Protein crystallography data

The structure of Thrombin in Complex with 2-Amino-1-(4-Bromophenyl)Ethan-1-One (J10), PDB code: 6ysj was solved by W.Scanlan, A.Heine, G.Klebe, N.Abazi, A.Paulus, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.49 / 1.45
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 70.451, 71.379, 72.448, 90, 100.34, 90
R / Rfree (%) 13.4 / 16.8

Other elements in 6ysj:

The structure of Thrombin in Complex with 2-Amino-1-(4-Bromophenyl)Ethan-1-One (J10) also contains other interesting chemical elements:

Sodium (Na) 2 atoms

Bromine Binding Sites:

The binding sites of Bromine atom in the Thrombin in Complex with 2-Amino-1-(4-Bromophenyl)Ethan-1-One (J10) (pdb code 6ysj). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Thrombin in Complex with 2-Amino-1-(4-Bromophenyl)Ethan-1-One (J10), PDB code: 6ysj:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in 6ysj

Go back to Bromine Binding Sites List in 6ysj
Bromine binding site 1 out of 2 in the Thrombin in Complex with 2-Amino-1-(4-Bromophenyl)Ethan-1-One (J10)


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Thrombin in Complex with 2-Amino-1-(4-Bromophenyl)Ethan-1-One (J10) within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Br305

b:18.9
occ:0.65
BR H:47A305 0.0 18.9 0.7
C1 H:47A305 1.9 22.4 1.0
HG13 H:VAL213 2.8 19.1 1.0
C2 H:47A305 2.8 23.9 1.0
C H:47A305 2.8 24.5 1.0
HA3 H:GLY226 3.0 15.8 1.0
HB3 H:ALA190 3.1 21.3 1.0
H H:PHE227 3.2 14.8 1.0
HH H:TYR228 3.4 17.7 1.0
O H:PHE227 3.4 12.5 1.0
HA2 H:GLY226 3.5 15.8 1.0
H H:SER214 3.6 15.2 1.0
N H:PHE227 3.6 12.3 1.0
CA H:GLY226 3.6 13.2 1.0
O H:TRP215 3.6 14.7 1.0
CZ H:TYR228 3.7 12.2 1.0
CG1 H:VAL213 3.7 15.9 1.0
HG12 H:VAL213 3.8 19.1 1.0
OH H:TYR228 3.8 14.8 1.0
H H:TRP215 3.8 15.8 1.0
C H:GLY226 3.8 12.3 1.0
HA H:VAL213 3.9 14.8 1.0
CE1 H:TYR228 4.0 13.0 1.0
CB H:ALA190 4.0 17.7 1.0
CE2 H:TYR228 4.0 12.2 1.0
C3 H:47A305 4.1 25.1 1.0
C5 H:47A305 4.1 25.7 1.0
C H:TRP215 4.2 15.0 1.0
C H:PHE227 4.2 12.5 1.0
HE1 H:TYR228 4.2 15.6 1.0
N H:SER214 4.2 12.7 1.0
HB2 H:ALA190 4.2 21.3 1.0
HG11 H:VAL213 4.2 19.1 1.0
N H:TRP215 4.3 13.2 1.0
HE2 H:TYR228 4.3 14.7 1.0
HB1 H:ALA190 4.3 21.3 1.0
OD1 H:ASP189 4.4 16.3 1.0
H H:ALA190 4.4 18.2 1.0
O H:HOH450 4.5 15.5 1.0
CA H:PHE227 4.5 12.7 1.0
HG22 H:VAL213 4.5 19.0 1.0
CA H:VAL213 4.5 12.4 1.0
CD1 H:TYR228 4.5 12.3 1.0
CD2 H:TYR228 4.6 11.6 1.0
CB H:VAL213 4.6 13.8 1.0
C4 H:47A305 4.7 27.4 1.0
CA H:TRP215 4.7 14.3 1.0
C H:VAL213 4.7 12.7 1.0
HA3 H:GLY216 4.8 19.4 1.0
O H:GLY226 4.8 12.6 1.0
CG H:TYR228 4.8 11.7 1.0
HA H:TRP215 4.9 17.2 1.0
N H:GLY216 4.9 15.6 1.0
C H:SER214 4.9 13.8 1.0
N H:GLY226 4.9 14.1 1.0

Bromine binding site 2 out of 2 in 6ysj

Go back to Bromine Binding Sites List in 6ysj
Bromine binding site 2 out of 2 in the Thrombin in Complex with 2-Amino-1-(4-Bromophenyl)Ethan-1-One (J10)


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Thrombin in Complex with 2-Amino-1-(4-Bromophenyl)Ethan-1-One (J10) within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Br306

b:25.0
occ:0.70
BR H:47A306 0.0 25.0 0.7
C1 H:47A306 1.9 22.1 0.7
C H:47A306 2.8 23.7 0.7
C2 H:47A306 2.8 22.8 0.7
HA H:ASN98 3.2 20.0 1.0
HG H:LEU99 3.3 25.0 1.0
HG21 H:ILE174 3.5 19.6 1.0
CD2 H:TRP215 3.5 15.7 1.0
CG H:TRP215 3.7 14.3 1.0
CE2 H:TRP215 3.7 16.3 1.0
O H:ASN98 3.8 16.8 1.0
CE3 H:TRP215 3.8 17.5 1.0
C H:ASN98 3.9 15.8 1.0
HD12 H:ILE174 3.9 28.6 1.0
HB2 H:TRP215 4.0 17.3 1.0
HG13 H:ILE174 4.0 25.0 1.0
CA H:ASN98 4.0 16.6 1.0
CD1 H:TRP215 4.0 15.2 1.0
NE1 H:TRP215 4.1 15.9 1.0
HE3 H:TRP215 4.1 21.1 1.0
HD12 H:LEU99 4.1 24.0 1.0
C5 H:47A306 4.1 24.2 0.7
C3 H:47A306 4.1 23.0 0.7
HB2 H:LEU99 4.1 22.0 1.0
CG H:LEU99 4.1 20.8 1.0
HB3 H:TRP215 4.2 17.3 1.0
CB H:TRP215 4.2 14.4 1.0
CZ3 H:TRP215 4.3 18.9 1.0
CZ2 H:TRP215 4.3 17.8 1.0
CG2 H:ILE174 4.3 16.3 1.0
HG23 H:ILE174 4.4 19.6 1.0
CD1 H:LEU99 4.5 20.0 1.0
O H:HOH570 4.5 49.5 1.0
HD13 H:LEU99 4.5 24.0 1.0
CH2 H:TRP215 4.5 18.5 1.0
HD1 H:TRP215 4.5 18.3 1.0
N H:LEU99 4.6 16.4 1.0
HE1 H:TRP215 4.6 19.1 1.0
CB H:LEU99 4.6 18.3 1.0
HB2 H:ASN98 4.6 19.7 1.0
C4 H:47A306 4.6 24.6 0.7
CD1 H:ILE174 4.7 23.8 1.0
O H:GLU97A 4.7 24.7 1.0
CG1 H:ILE174 4.7 20.8 1.0
HZ3 H:TRP215 4.8 22.7 1.0
HZ2 H:TRP215 4.8 21.3 1.0
HD11 H:ILE174 4.9 28.6 1.0
CB H:ASN98 4.9 16.4 1.0
H H:LEU99 4.9 19.7 1.0
HG22 H:ILE174 5.0 19.6 1.0
N H:ASN98 5.0 18.1 1.0

Reference:

W.Scanlan, A.Heine, G.Klebe. Thrombin in Complex with 2-Amino-1-(4-Bromophenyl)Ethan-1-One (J10) To Be Published.
Page generated: Mon Jul 7 10:47:09 2025

Last articles

Na in 5U0J
Na in 5TZV
Na in 5U0I
Na in 5U0V
Na in 5TZR
Na in 5TYX
Na in 5TYY
Na in 5TYZ
Na in 5TYW
Na in 5TYV
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy