Atomistry » Bromine » PDB 6tu4-6vrk » 6ujs
Atomistry »
  Bromine »
    PDB 6tu4-6vrk »
      6ujs »

Bromine in PDB 6ujs: P-Glycoprotein Mutant-F728A and C952A-with BDE100

Enzymatic activity of P-Glycoprotein Mutant-F728A and C952A-with BDE100

All present enzymatic activity of P-Glycoprotein Mutant-F728A and C952A-with BDE100:
7.6.2.1; 7.6.2.2;

Protein crystallography data

The structure of P-Glycoprotein Mutant-F728A and C952A-with BDE100, PDB code: 6ujs was solved by S.G.Aller, C.A.Le, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.87 / 4.17
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 91.504, 138.254, 196.134, 90.00, 90.00, 90.00
R / Rfree (%) 25 / 29

Bromine Binding Sites:

The binding sites of Bromine atom in the P-Glycoprotein Mutant-F728A and C952A-with BDE100 (pdb code 6ujs). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 10 binding sites of Bromine where determined in the P-Glycoprotein Mutant-F728A and C952A-with BDE100, PDB code: 6ujs:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 10 in 6ujs

Go back to Bromine Binding Sites List in 6ujs
Bromine binding site 1 out of 10 in the P-Glycoprotein Mutant-F728A and C952A-with BDE100


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of P-Glycoprotein Mutant-F728A and C952A-with BDE100 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1301

b:0.1
occ:0.53
 BR2 A:4C81301 0.0 0.1 0.5
CAF A:4C81301 1.9 0.4 0.5
CAA A:4C81301 2.9 0.7 0.5
CAE A:4C81301 2.9 0.8 0.5
OAJ A:4C81301 3.1 0.3 0.5
CAK A:4C81301 3.6 0.7 0.5
CAL A:4C81301 3.6 0.5 0.5
CAB A:4C81301 4.2 0.3 0.5
CAD A:4C81301 4.2 0.5 0.5
CE2 A:PHE332 4.3 1.0 1.0
CZ A:PHE332 4.4 0.6 1.0
CAP A:4C81301 4.6 0.8 0.5
CAC A:4C81301 4.7 0.5 0.5
CAM A:4C81301 4.7 0.9 0.5
CZ A:PHE979 4.8 0.6 1.0
CE2 A:PHE331 4.8 0.3 1.0

Bromine binding site 2 out of 10 in 6ujs

Go back to Bromine Binding Sites List in 6ujs
Bromine binding site 2 out of 10 in the P-Glycoprotein Mutant-F728A and C952A-with BDE100


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of P-Glycoprotein Mutant-F728A and C952A-with BDE100 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1301

b:0.5
occ:0.53
 BR1 A:4C81301 0.0 0.5 0.5
CAD A:4C81301 1.9 0.5 0.5
CAC A:4C81301 2.9 0.5 0.5
CAE A:4C81301 2.9 0.8 0.5
CE2 A:PHE979 3.6 0.5 1.0
CD2 A:PHE979 3.7 0.8 1.0
CZ A:PHE979 4.0 0.6 1.0
CAB A:4C81301 4.2 0.3 0.5
CG A:PHE979 4.2 0.8 1.0
CAF A:4C81301 4.2 0.4 0.5
CE1 A:PHE979 4.5 0.4 1.0
CD1 A:PHE979 4.5 0.9 1.0
OH A:TYR303 4.7 0.0 1.0
CAA A:4C81301 4.7 0.7 0.5
CB A:PHE979 5.0 0.7 1.0

Bromine binding site 3 out of 10 in 6ujs

Go back to Bromine Binding Sites List in 6ujs
Bromine binding site 3 out of 10 in the P-Glycoprotein Mutant-F728A and C952A-with BDE100


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of P-Glycoprotein Mutant-F728A and C952A-with BDE100 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1301

b:0.9
occ:0.53
 BR3 A:4C81301 0.0 0.9 0.5
CAB A:4C81301 1.9 0.3 0.5
CAC A:4C81301 2.9 0.5 0.5
CAA A:4C81301 2.9 0.7 0.5
OAJ A:4C81301 3.1 0.3 0.5
CB A:ALA728 3.5 0.5 1.0
CAK A:4C81301 3.6 0.7 0.5
O A:PHE724 3.9 0.1 1.0
CAL A:4C81301 4.1 0.5 0.5
CAD A:4C81301 4.2 0.5 0.5
CAP A:4C81301 4.2 0.8 0.5
CAF A:4C81301 4.2 0.4 0.5
C A:PHE724 4.5 0.3 1.0
BR4 A:4C81301 4.6 0.8 0.5
CE2 A:PHE755 4.6 0.1 1.0
CAE A:4C81301 4.7 0.8 0.5
CA A:ALA728 4.8 0.6 1.0
CB A:PHE724 5.0 0.9 1.0

Bromine binding site 4 out of 10 in 6ujs

Go back to Bromine Binding Sites List in 6ujs
Bromine binding site 4 out of 10 in the P-Glycoprotein Mutant-F728A and C952A-with BDE100


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of P-Glycoprotein Mutant-F728A and C952A-with BDE100 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1301

b:0.8
occ:0.53
 BR4 A:4C81301 0.0 0.8 0.5
CAP A:4C81301 1.9 0.8 0.5
CAK A:4C81301 2.9 0.7 0.5
CAO A:4C81301 2.9 0.0 0.5
OAJ A:4C81301 3.0 0.3 0.5
CD1 A:PHE310 3.4 0.9 1.0
CE1 A:PHE310 3.4 0.0 1.0
CZ A:PHE310 3.5 0.6 1.0
CG A:PHE310 3.5 0.1 1.0
CD2 A:PHE310 3.5 0.7 1.0
CE2 A:PHE310 3.5 0.7 1.0
CE2 A:PHE331 3.9 0.3 1.0
CAL A:4C81301 4.2 0.5 0.5
CAN A:4C81301 4.2 0.8 0.5
CB A:PHE310 4.3 0.3 1.0
CAA A:4C81301 4.4 0.7 0.5
CZ A:PHE331 4.4 0.7 1.0
CD2 A:PHE331 4.5 0.3 1.0
BR3 A:4C81301 4.6 0.9 0.5
CB A:ALA728 4.6 0.5 1.0
CAM A:4C81301 4.7 0.9 0.5

Bromine binding site 5 out of 10 in 6ujs

Go back to Bromine Binding Sites List in 6ujs
Bromine binding site 5 out of 10 in the P-Glycoprotein Mutant-F728A and C952A-with BDE100


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of P-Glycoprotein Mutant-F728A and C952A-with BDE100 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1301

b:0.8
occ:0.53
 BR5 A:4C81301 0.0 0.8 0.5
CAN A:4C81301 1.9 0.8 0.5
CAM A:4C81301 2.9 0.9 0.5
CAO A:4C81301 2.9 0.0 0.5
CD1 A:LEU971 3.9 0.5 1.0
BR1 A:4C81302 4.0 0.0 0.5
CB A:LEU971 4.1 0.4 1.0
O A:ALA728 4.2 0.3 1.0
CAL A:4C81301 4.2 0.5 0.5
CAP A:4C81301 4.2 0.8 0.5
CG A:LEU971 4.4 0.1 1.0
CD2 A:LEU971 4.4 0.4 1.0
CG2 A:VAL732 4.4 0.2 1.0
C A:ALA728 4.6 0.6 1.0
CB A:VAL732 4.6 0.6 1.0
CA A:SER729 4.7 0.2 1.0
CAK A:4C81301 4.7 0.7 0.5
N A:SER729 4.8 0.2 1.0

Bromine binding site 6 out of 10 in 6ujs

Go back to Bromine Binding Sites List in 6ujs
Bromine binding site 6 out of 10 in the P-Glycoprotein Mutant-F728A and C952A-with BDE100


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of P-Glycoprotein Mutant-F728A and C952A-with BDE100 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1302

b:0.1
occ:0.48
 BR2 A:4C81302 0.0 0.1 0.5
CAF A:4C81302 1.9 0.8 0.5
CAA A:4C81302 2.9 0.7 0.5
CAE A:4C81302 2.9 0.6 0.5
OAJ A:4C81302 3.1 0.9 0.5
CG2 A:VAL978 3.6 0.5 1.0
CAK A:4C81302 3.7 0.8 0.5
BR4 A:4C81302 4.1 0.1 0.5
CAP A:4C81302 4.1 0.0 0.5
CB A:PHE974 4.1 0.1 1.0
CB A:VAL978 4.1 0.7 1.0
CAB A:4C81302 4.2 0.8 0.5
CAD A:4C81302 4.2 0.4 0.5
O A:PHE974 4.3 0.2 1.0
CG1 A:VAL978 4.3 0.2 1.0
CAL A:4C81302 4.5 0.8 0.5
C A:PHE974 4.5 0.7 1.0
CG A:PHE974 4.7 0.3 1.0
CAC A:4C81302 4.7 0.1 0.5
CA A:PHE974 4.7 0.2 1.0

Bromine binding site 7 out of 10 in 6ujs

Go back to Bromine Binding Sites List in 6ujs
Bromine binding site 7 out of 10 in the P-Glycoprotein Mutant-F728A and C952A-with BDE100


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of P-Glycoprotein Mutant-F728A and C952A-with BDE100 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1302

b:0.0
occ:0.48
 BR1 A:4C81302 0.0 0.0 0.5
CAD A:4C81302 1.9 0.4 0.5
CAE A:4C81302 2.9 0.6 0.5
CAC A:4C81302 2.9 0.1 0.5
CZ A:PHE71 3.4 0.1 1.0
CD2 A:LEU971 3.6 0.4 1.0
CE1 A:PHE71 4.0 0.7 1.0
BR5 A:4C81301 4.0 0.8 0.5
CE2 A:PHE71 4.1 0.7 1.0
CAF A:4C81302 4.2 0.8 0.5
CAB A:4C81302 4.2 0.8 0.5
CAA A:4C81302 4.7 0.7 0.5
CAN A:4C81301 4.8 0.8 0.5
CAM A:4C81301 4.8 0.9 0.5
CG A:LEU971 4.8 0.1 1.0
CZ A:PHE332 5.0 0.6 1.0

Bromine binding site 8 out of 10 in 6ujs

Go back to Bromine Binding Sites List in 6ujs
Bromine binding site 8 out of 10 in the P-Glycoprotein Mutant-F728A and C952A-with BDE100


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of P-Glycoprotein Mutant-F728A and C952A-with BDE100 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1302

b:0.5
occ:0.48
 BR3 A:4C81302 0.0 0.5 0.5
CAB A:4C81302 1.9 0.8 0.5
CAA A:4C81302 2.9 0.7 0.5
CAC A:4C81302 2.9 0.1 0.5
OAJ A:4C81302 3.1 0.9 0.5
CAL A:4C81302 3.3 0.8 0.5
SD A:MET68 3.5 0.4 1.0
CAK A:4C81302 3.5 0.8 0.5
CD2 A:PHE332 3.5 0.2 1.0
CE2 A:PHE332 3.5 1.0 1.0
CE A:MET68 3.8 0.1 1.0
CAF A:4C81302 4.2 0.8 0.5
CAD A:4C81302 4.2 0.4 0.5
CAM A:4C81302 4.4 0.6 0.5
CG A:MET68 4.7 0.7 1.0
CAE A:4C81302 4.7 0.6 0.5
CAP A:4C81302 4.7 0.0 0.5
CG A:PHE332 4.8 0.5 1.0
CZ A:PHE332 4.8 0.6 1.0

Bromine binding site 9 out of 10 in 6ujs

Go back to Bromine Binding Sites List in 6ujs
Bromine binding site 9 out of 10 in the P-Glycoprotein Mutant-F728A and C952A-with BDE100


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of P-Glycoprotein Mutant-F728A and C952A-with BDE100 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1302

b:0.1
occ:0.48
 BR4 A:4C81302 0.0 0.1 0.5
CAP A:4C81302 1.9 0.0 0.5
CAO A:4C81302 2.9 0.4 0.5
CAK A:4C81302 2.9 0.8 0.5
OAJ A:4C81302 3.1 0.9 0.5
BR2 A:4C81302 4.1 0.1 0.5
CG1 A:VAL978 4.1 0.2 1.0
CAN A:4C81302 4.2 0.1 0.5
CAL A:4C81302 4.2 0.8 0.5
CAA A:4C81302 4.4 0.7 0.5
CAM A:4C81302 4.7 0.6 0.5
CAF A:4C81302 4.8 0.8 0.5

Bromine binding site 10 out of 10 in 6ujs

Go back to Bromine Binding Sites List in 6ujs
Bromine binding site 10 out of 10 in the P-Glycoprotein Mutant-F728A and C952A-with BDE100


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of P-Glycoprotein Mutant-F728A and C952A-with BDE100 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1302

b:0.7
occ:0.48
 BR5 A:4C81302 0.0 0.7 0.5
CAN A:4C81302 1.9 0.1 0.5
CAM A:4C81302 2.9 0.6 0.5
CAO A:4C81302 2.9 0.4 0.5
O A:MET945 4.0 0.0 1.0
CD2 A:TYR946 4.0 0.3 1.0
CB A:TYR949 4.1 0.5 1.0
CD2 A:TYR949 4.1 0.3 1.0
CE2 A:TYR946 4.1 0.4 1.0
CAL A:4C81302 4.2 0.8 0.5
CG A:TYR949 4.2 0.1 1.0
CAP A:4C81302 4.2 0.0 0.5
CG A:TYR946 4.2 0.7 1.0
CA A:TYR946 4.3 0.8 1.0
CE A:MET67 4.4 0.7 1.0
CZ A:TYR946 4.4 0.6 1.0
CG A:MET67 4.4 0.8 1.0
C A:MET945 4.5 0.5 1.0
CD1 A:TYR946 4.5 0.9 1.0
CD2 A:LEU64 4.6 0.6 1.0
CE1 A:TYR946 4.6 0.6 1.0
N A:TYR946 4.7 0.7 1.0
CAK A:4C81302 4.7 0.8 0.5
CB A:TYR946 4.9 0.6 1.0
CE2 A:TYR949 4.9 0.7 1.0

Reference:

C.A.Le, D.S.Harvey, S.G.Aller. Structural Definition of Polyspecific Compensatory Ligand Recognition By Pglycoprotein Iucrj 2020.
ISSN: ESSN 2052-2525
DOI: 10.1107/S2052252520005709
Page generated: Thu Jul 11 02:57:37 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy