Atomistry » Bromine » PDB 2civ-2hb1 » 2fe8
Atomistry »
  Bromine »
    PDB 2civ-2hb1 »
      2fe8 »

Bromine in PDB 2fe8: Sars Coronavirus Papain-Like Protease: Structure of A Viral Deubiquitinating Enzyme

Protein crystallography data

The structure of Sars Coronavirus Papain-Like Protease: Structure of A Viral Deubiquitinating Enzyme, PDB code: 2fe8 was solved by K.Ratia, B.D.Santarsiero, A.D.Mesecar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.85
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 142.872, 103.065, 91.728, 90.00, 111.15, 90.00
R / Rfree (%) 20.1 / 22.9

Other elements in 2fe8:

The structure of Sars Coronavirus Papain-Like Protease: Structure of A Viral Deubiquitinating Enzyme also contains other interesting chemical elements:

Zinc (Zn) 3 atoms

Bromine Binding Sites:

The binding sites of Bromine atom in the Sars Coronavirus Papain-Like Protease: Structure of A Viral Deubiquitinating Enzyme (pdb code 2fe8). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 9 binding sites of Bromine where determined in the Sars Coronavirus Papain-Like Protease: Structure of A Viral Deubiquitinating Enzyme, PDB code: 2fe8:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Bromine binding site 1 out of 9 in 2fe8

Go back to Bromine Binding Sites List in 2fe8
Bromine binding site 1 out of 9 in the Sars Coronavirus Papain-Like Protease: Structure of A Viral Deubiquitinating Enzyme


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Sars Coronavirus Papain-Like Protease: Structure of A Viral Deubiquitinating Enzyme within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br317

b:36.5
occ:1.00
 N A:LYS307 3.3 20.1 1.0
O A:HOH468 3.3 39.8 1.0
C A:PHE259 3.6 22.6 1.0
N A:LEU260 3.6 19.7 1.0
CA A:PHE259 3.7 22.6 1.0
CA A:TYR306 3.8 18.4 1.0
C A:TYR306 4.1 18.8 1.0
O A:PHE259 4.2 21.8 1.0
CB A:TYR306 4.2 16.5 1.0
N A:PHE259 4.2 23.8 1.0
CB A:LEU260 4.2 21.4 1.0
CB A:LYS307 4.2 26.4 1.0
CA A:LEU260 4.3 19.5 1.0
CA A:LYS307 4.3 21.3 1.0
CD1 A:TYR306 4.4 17.1 1.0
O A:LYS307 4.5 21.5 1.0
C A:THR258 4.7 25.8 1.0
O A:THR258 4.7 25.6 1.0
CG A:TYR306 4.7 16.9 1.0
O A:PHE305 4.9 19.6 1.0
C A:LYS307 4.9 22.1 1.0

Bromine binding site 2 out of 9 in 2fe8

Go back to Bromine Binding Sites List in 2fe8
Bromine binding site 2 out of 9 in the Sars Coronavirus Papain-Like Protease: Structure of A Viral Deubiquitinating Enzyme


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Sars Coronavirus Papain-Like Protease: Structure of A Viral Deubiquitinating Enzyme within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br318

b:54.4
occ:1.00
 N A:PHE128 3.2 24.1 1.0
CA A:GLN134 3.4 28.7 1.0
CB A:GLN134 3.5 31.4 1.0
CA A:LYS127 3.6 28.6 1.0
CB A:LYS127 3.9 33.7 1.0
C A:LYS127 3.9 27.6 1.0
CG A:GLN134 4.1 37.4 1.0
O A:PHE128 4.1 24.8 1.0
CD2 A:PHE128 4.1 21.8 1.0
O A:GLN134 4.2 28.3 1.0
CA A:PHE128 4.2 23.9 1.0
C A:GLN134 4.3 26.7 1.0
CB A:PHE128 4.3 22.9 1.0
N A:GLN134 4.5 25.7 1.0
CD2 A:TYR137 4.5 30.2 1.0
C A:PHE128 4.6 23.8 1.0
CG A:PHE128 4.7 21.8 1.0
O A:VAL126 4.7 27.1 1.0
CD A:GLN134 4.9 39.5 1.0
N A:LYS127 4.9 25.2 1.0
CG A:LYS127 4.9 39.3 1.0
CB A:TYR137 5.0 25.5 1.0

Bromine binding site 3 out of 9 in 2fe8

Go back to Bromine Binding Sites List in 2fe8
Bromine binding site 3 out of 9 in the Sars Coronavirus Papain-Like Protease: Structure of A Viral Deubiquitinating Enzyme


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Sars Coronavirus Papain-Like Protease: Structure of A Viral Deubiquitinating Enzyme within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br319

b:44.6
occ:1.00
 O A:HOH362 3.2 24.8 1.0
N A:VAL160 3.3 25.6 1.0
OG A:SER86 3.5 30.5 1.0
CA A:ALA87 3.7 22.0 1.0
N A:ALA87 3.8 23.4 1.0
CG2 A:VAL160 3.8 27.1 1.0
CB A:THR159 3.8 26.4 1.0
CA A:THR159 3.9 24.8 1.0
CB A:VAL160 3.9 26.1 1.0
C A:SER86 4.0 25.2 1.0
O A:SER86 4.0 22.8 1.0
CB A:ALA87 4.1 20.4 1.0
C A:THR159 4.1 24.3 1.0
CD2 A:HIS90 4.2 34.0 1.0
CA A:VAL160 4.3 25.9 1.0
CB A:SER86 4.3 26.7 1.0
CG2 A:THR159 4.3 26.5 1.0
O A:HOH413 4.4 32.4 1.0
NE2 A:HIS90 4.7 35.4 1.0
CA A:SER86 4.8 25.0 1.0
O A:ARG83 5.0 28.9 1.0
O A:VAL160 5.0 26.6 1.0

Bromine binding site 4 out of 9 in 2fe8

Go back to Bromine Binding Sites List in 2fe8
Bromine binding site 4 out of 9 in the Sars Coronavirus Papain-Like Protease: Structure of A Viral Deubiquitinating Enzyme


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Sars Coronavirus Papain-Like Protease: Structure of A Viral Deubiquitinating Enzyme within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br317

b:40.8
occ:1.00
 N B:LYS307 3.3 25.7 1.0
C B:PHE259 3.6 25.3 1.0
N B:LEU260 3.7 24.0 1.0
CA B:PHE259 3.7 24.6 1.0
CA B:TYR306 3.9 22.8 1.0
CB B:LYS307 4.0 32.8 1.0
C B:TYR306 4.1 24.3 1.0
N B:PHE259 4.1 27.9 1.0
O B:PHE259 4.1 24.8 1.0
CB B:TYR306 4.2 22.0 1.0
CA B:LYS307 4.2 28.5 1.0
CA B:LEU260 4.3 25.9 1.0
CD1 B:TYR306 4.4 22.4 1.0
CB B:LEU260 4.4 25.7 1.0
O B:LYS307 4.4 27.9 1.0
C B:THR258 4.4 29.6 1.0
O B:THR258 4.5 29.0 1.0
CG B:TYR306 4.7 22.2 1.0
C B:LYS307 4.8 28.3 1.0
O B:PHE305 4.9 23.6 1.0

Bromine binding site 5 out of 9 in 2fe8

Go back to Bromine Binding Sites List in 2fe8
Bromine binding site 5 out of 9 in the Sars Coronavirus Papain-Like Protease: Structure of A Viral Deubiquitinating Enzyme


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Sars Coronavirus Papain-Like Protease: Structure of A Viral Deubiquitinating Enzyme within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br318

b:41.8
occ:1.00
 O B:HOH373 3.0 28.9 1.0
N B:PHE128 3.3 25.1 1.0
CA B:LYS127 3.6 30.1 1.0
CA B:GLN134 3.8 22.9 1.0
CB B:LYS127 3.8 34.6 1.0
CB B:GLN134 4.0 25.5 1.0
C B:LYS127 4.0 28.8 1.0
CG B:GLN134 4.0 29.9 1.0
CD2 B:PHE128 4.2 21.2 1.0
O B:PHE128 4.3 27.8 1.0
CA B:PHE128 4.3 24.5 1.0
CB B:PHE128 4.3 22.8 1.0
CD2 B:TYR137 4.4 29.3 1.0
O B:GLN134 4.5 20.1 1.0
O B:VAL126 4.6 27.2 1.0
C B:GLN134 4.7 23.3 1.0
CG B:PHE128 4.7 20.9 1.0
N B:GLN134 4.7 20.8 1.0
C B:PHE128 4.8 24.3 1.0
N B:LYS127 4.9 28.5 1.0
O B:HOH486 4.9 48.4 1.0
CD B:GLN134 4.9 33.8 1.0
CB B:TYR137 4.9 22.4 1.0

Bromine binding site 6 out of 9 in 2fe8

Go back to Bromine Binding Sites List in 2fe8
Bromine binding site 6 out of 9 in the Sars Coronavirus Papain-Like Protease: Structure of A Viral Deubiquitinating Enzyme


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Sars Coronavirus Papain-Like Protease: Structure of A Viral Deubiquitinating Enzyme within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br319

b:54.3
occ:1.00
 O B:HOH395 3.0 30.4 1.0
N B:VAL160 3.4 25.5 1.0
OG B:SER86 3.6 32.0 1.0
CA B:ALA87 3.6 24.3 1.0
N B:ALA87 3.8 24.3 1.0
CG2 B:VAL160 3.8 26.4 1.0
CB B:THR159 3.8 28.5 1.0
CB B:VAL160 3.9 26.1 1.0
C B:SER86 3.9 26.6 1.0
O B:SER86 3.9 26.5 1.0
CA B:THR159 3.9 26.3 1.0
CB B:ALA87 4.1 23.7 1.0
O B:HOH438 4.2 38.2 1.0
C B:THR159 4.2 25.0 1.0
CG2 B:THR159 4.2 28.0 1.0
CB B:SER86 4.3 30.6 1.0
CA B:VAL160 4.3 26.1 1.0
CD2 B:HIS90 4.4 39.2 1.0
CA B:SER86 4.8 26.2 1.0
O B:ARG83 4.9 22.4 1.0
NE2 B:HIS90 5.0 39.3 1.0
C B:ALA87 5.0 23.1 1.0

Bromine binding site 7 out of 9 in 2fe8

Go back to Bromine Binding Sites List in 2fe8
Bromine binding site 7 out of 9 in the Sars Coronavirus Papain-Like Protease: Structure of A Viral Deubiquitinating Enzyme


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Sars Coronavirus Papain-Like Protease: Structure of A Viral Deubiquitinating Enzyme within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Br317

b:39.5
occ:1.00
 N C:LYS307 3.4 22.4 1.0
O C:HOH403 3.5 36.5 1.0
C C:PHE259 3.7 21.9 1.0
N C:LEU260 3.7 21.3 1.0
CA C:PHE259 3.7 22.9 1.0
CA C:TYR306 3.9 20.9 1.0
C C:TYR306 4.1 23.0 1.0
N C:PHE259 4.1 23.7 1.0
CB C:LYS307 4.2 28.5 1.0
CB C:TYR306 4.2 20.0 1.0
O C:PHE259 4.2 20.5 1.0
CA C:LYS307 4.3 24.4 1.0
O C:THR258 4.3 25.9 1.0
CD1 C:TYR306 4.4 20.5 1.0
CA C:LEU260 4.4 21.8 1.0
C C:THR258 4.4 24.9 1.0
CG C:LEU260 4.5 31.6 1.0
CB C:LEU260 4.5 25.0 1.0
O C:LYS307 4.7 24.2 1.0
CG C:LYS307 4.7 34.5 1.0
CG C:TYR306 4.7 20.7 1.0
O C:PHE305 4.9 19.8 1.0

Bromine binding site 8 out of 9 in 2fe8

Go back to Bromine Binding Sites List in 2fe8
Bromine binding site 8 out of 9 in the Sars Coronavirus Papain-Like Protease: Structure of A Viral Deubiquitinating Enzyme


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Sars Coronavirus Papain-Like Protease: Structure of A Viral Deubiquitinating Enzyme within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Br318

b:38.9
occ:1.00
 O C:HOH412 3.1 36.3 1.0
O C:HOH336 3.2 24.8 1.0
N C:PHE128 3.4 22.3 1.0
CG C:GLN134 3.7 27.8 1.0
CA C:LYS127 3.8 26.8 1.0
CA C:GLN134 3.9 22.6 1.0
CD C:LYS127 4.1 39.7 1.0
C C:LYS127 4.1 25.1 1.0
CD2 C:PHE128 4.1 21.3 1.0
CD2 C:TYR137 4.2 25.8 1.0
CB C:GLN134 4.2 24.5 1.0
CB C:LYS127 4.4 28.9 1.0
CB C:PHE128 4.4 19.2 1.0
CA C:PHE128 4.4 22.0 1.0
O C:VAL126 4.4 30.0 1.0
O C:PHE128 4.5 25.2 1.0
O C:GLN134 4.6 22.0 1.0
CG C:PHE128 4.7 20.2 1.0
C C:GLN134 4.8 22.8 1.0
N C:GLN134 4.8 21.3 1.0
CB C:TYR137 4.9 20.0 1.0
CG C:LYS127 4.9 36.0 1.0
N C:LYS127 4.9 26.3 1.0
CE2 C:TYR137 5.0 28.6 1.0
CD C:GLN134 5.0 30.1 1.0
C C:PHE128 5.0 23.0 1.0

Bromine binding site 9 out of 9 in 2fe8

Go back to Bromine Binding Sites List in 2fe8
Bromine binding site 9 out of 9 in the Sars Coronavirus Papain-Like Protease: Structure of A Viral Deubiquitinating Enzyme


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of Sars Coronavirus Papain-Like Protease: Structure of A Viral Deubiquitinating Enzyme within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Br319

b:52.0
occ:1.00
 O C:HOH328 3.1 22.1 1.0
N C:VAL160 3.3 26.6 1.0
CA C:ALA87 3.6 21.2 1.0
N C:ALA87 3.7 23.1 1.0
CG2 C:VAL160 3.8 25.5 1.0
O C:HOH452 3.8 45.7 1.0
CB C:THR159 3.8 28.6 1.0
CB C:VAL160 3.8 26.7 1.0
CA C:THR159 3.9 26.6 1.0
CB C:ALA87 4.0 17.8 1.0
C C:SER86 4.0 24.3 1.0
C C:THR159 4.1 25.2 1.0
O C:SER86 4.1 24.8 1.0
CA C:VAL160 4.2 26.8 1.0
CG2 C:THR159 4.2 30.4 1.0
ND1 C:HIS90 4.3 36.8 1.0
CB C:SER86 4.3 24.5 1.0
O C:HOH383 4.4 32.3 1.0
CE1 C:HIS90 4.6 37.6 1.0
O C:VAL160 4.8 26.8 1.0
CA C:SER86 4.9 25.2 1.0
O C:ARG83 4.9 22.9 1.0
C C:ALA87 5.0 20.8 1.0

Reference:

K.Ratia, K.S.Saikatendu, B.D.Santarsiero, N.Barretto, S.C.Baker, R.C.Stevens, A.D.Mesecar. Severe Acute Respiratory Syndrome Coronavirus Papain-Like Protease: Structure of A Viral Deubiquitinating Enzyme Proc.Natl.Acad.Sci.Usa V. 103 5717 2006.
ISSN: ISSN 0027-8424
PubMed: 16581910
DOI: 10.1073/PNAS.0510851103
Page generated: Wed Jul 10 17:59:57 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy