Atomistry » Bromine » PDB 4x6i-4z8b » 4ygj
Atomistry »
  Bromine »
    PDB 4x6i-4z8b »
      4ygj »

Bromine in PDB 4ygj: Nabr--Interactions Between Hofmeister Anions and the Binding Pocket of A Protein

Enzymatic activity of Nabr--Interactions Between Hofmeister Anions and the Binding Pocket of A Protein

All present enzymatic activity of Nabr--Interactions Between Hofmeister Anions and the Binding Pocket of A Protein:
4.2.1.1;

Protein crystallography data

The structure of Nabr--Interactions Between Hofmeister Anions and the Binding Pocket of A Protein, PDB code: 4ygj was solved by J.M.Fox, K.Kang, W.Sherman, A.Heroux, G.M.Sastry, M.Baghbanzadeh, M.R.Lockett, G.M.Whitesides, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 1.10
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.299, 41.379, 72.460, 90.00, 104.64, 90.00
R / Rfree (%) 12.7 / 14.7

Other elements in 4ygj:

The structure of Nabr--Interactions Between Hofmeister Anions and the Binding Pocket of A Protein also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Bromine Binding Sites:

The binding sites of Bromine atom in the Nabr--Interactions Between Hofmeister Anions and the Binding Pocket of A Protein (pdb code 4ygj). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 10 binding sites of Bromine where determined in the Nabr--Interactions Between Hofmeister Anions and the Binding Pocket of A Protein, PDB code: 4ygj:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 10 in 4ygj

Go back to Bromine Binding Sites List in 4ygj
Bromine binding site 1 out of 10 in the Nabr--Interactions Between Hofmeister Anions and the Binding Pocket of A Protein


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Nabr--Interactions Between Hofmeister Anions and the Binding Pocket of A Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br302

b:11.5
occ:0.30
 O A:HOH647 1.4 10.5 1.0
BR A:BR303 1.6 14.1 0.3
ZN A:ZN301 2.6 8.0 1.0
OG1 A:THR199 3.4 8.2 1.0
O A:HOH556 3.4 13.1 1.0
ND1 A:HIS119 3.4 7.4 1.0
NE2 A:HIS94 3.7 8.2 1.0
N A:THR199 3.8 8.3 1.0
BR A:BR304 3.9 21.9 0.5
CE1 A:HIS94 3.9 8.0 1.0
CE1 A:HIS119 4.0 7.3 1.0
CB A:THR199 4.2 8.0 1.0
CH2 A:TRP209 4.3 9.1 1.0
CG2 A:THR199 4.3 9.0 1.0
CG A:HIS119 4.3 7.2 1.0
CZ2 A:TRP209 4.3 9.0 1.0
NE2 A:HIS96 4.3 7.8 1.0
CA A:THR199 4.5 8.2 1.0
CB A:HIS119 4.6 7.3 1.0
CA A:LEU198 4.7 9.0 1.0
C A:LEU198 4.7 8.2 1.0
OE1 A:GLU106 4.8 8.1 1.0
CE1 A:HIS96 4.9 8.7 1.0
CD2 A:HIS94 5.0 7.7 1.0

Bromine binding site 2 out of 10 in 4ygj

Go back to Bromine Binding Sites List in 4ygj
Bromine binding site 2 out of 10 in the Nabr--Interactions Between Hofmeister Anions and the Binding Pocket of A Protein


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Nabr--Interactions Between Hofmeister Anions and the Binding Pocket of A Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br303

b:14.1
occ:0.30
 BR A:BR302 1.6 11.5 0.3
O A:HOH647 2.9 10.5 1.0
BR A:BR304 3.6 21.9 0.5
CD2 A:LEU198 3.6 15.5 1.0
CA A:LEU198 3.7 9.0 1.0
N A:THR199 3.7 8.3 1.0
CZ2 A:TRP209 4.0 9.0 1.0
ZN A:ZN301 4.1 8.0 1.0
O A:HOH556 4.2 13.1 1.0
CH2 A:TRP209 4.2 9.1 1.0
CG2 A:VAL143 4.2 9.0 1.0
C A:LEU198 4.2 8.2 1.0
CB A:LEU198 4.3 11.1 1.0
OG1 A:THR199 4.5 8.2 1.0
O A:SER197 4.6 7.9 1.0
ND1 A:HIS119 4.6 7.4 1.0
CG1 A:VAL143 4.7 8.8 1.0
CG A:LEU198 4.7 13.9 1.0
CE1 A:HIS94 4.7 8.0 1.0
N A:LEU198 4.8 8.4 1.0
CG2 A:THR199 4.8 9.0 1.0
CG2 A:VAL121 4.8 9.3 1.0
CA A:THR199 4.9 8.2 1.0
NE2 A:HIS94 4.9 8.2 1.0
CB A:THR199 4.9 8.0 1.0
CB A:VAL143 5.0 8.0 1.0

Bromine binding site 3 out of 10 in 4ygj

Go back to Bromine Binding Sites List in 4ygj
Bromine binding site 3 out of 10 in the Nabr--Interactions Between Hofmeister Anions and the Binding Pocket of A Protein


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Nabr--Interactions Between Hofmeister Anions and the Binding Pocket of A Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br304

b:21.9
occ:0.50
 O A:HOH640 2.3 26.1 1.0
O A:HOH556 3.1 13.1 1.0
NE2 A:GLN92 3.4 12.8 1.0
BR A:BR303 3.6 14.1 0.3
CE1 A:HIS94 3.7 8.0 1.0
O A:HOH592 3.8 24.1 1.0
BR A:BR302 3.9 11.5 0.3
CG2 A:VAL121 4.0 9.3 1.0
CD2 A:LEU198 4.2 15.5 1.0
O A:HOH647 4.2 10.5 1.0
ND1 A:HIS94 4.4 8.5 1.0
NE2 A:HIS94 4.5 8.2 1.0
O A:HOH568 4.5 23.3 1.0
O A:HOH590 4.5 19.8 1.0
CD A:GLN92 4.6 9.7 1.0
OG1 A:THR200 4.6 11.5 1.0
CG1 A:VAL121 4.6 9.2 1.0
CB A:VAL121 4.9 8.5 1.0
O A:HOH572 4.9 16.6 1.0

Bromine binding site 4 out of 10 in 4ygj

Go back to Bromine Binding Sites List in 4ygj
Bromine binding site 4 out of 10 in the Nabr--Interactions Between Hofmeister Anions and the Binding Pocket of A Protein


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Nabr--Interactions Between Hofmeister Anions and the Binding Pocket of A Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br305

b:20.8
occ:0.50
 O A:HOH590 3.1 19.8 1.0
O A:HOH650 3.4 35.3 1.0
CG A:PRO202 3.8 15.6 1.0
CD A:PRO202 3.9 14.2 1.0
CG2 A:VAL135 4.2 11.4 1.0
CD1 A:LEU198 4.2 15.4 1.0
CE2 A:PHE131 4.2 14.5 1.0
CD1 A:LEU204 4.4 14.2 1.0
CG1 A:VAL135 4.4 12.7 1.0
CB A:VAL135 4.6 11.4 1.0
CZ A:PHE131 4.7 14.3 1.0

Bromine binding site 5 out of 10 in 4ygj

Go back to Bromine Binding Sites List in 4ygj
Bromine binding site 5 out of 10 in the Nabr--Interactions Between Hofmeister Anions and the Binding Pocket of A Protein


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Nabr--Interactions Between Hofmeister Anions and the Binding Pocket of A Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br306

b:18.2
occ:0.50
 O A:HOH552 3.3 13.4 1.0
CG A:PRO247 3.6 12.2 0.5
NE2 A:GLN249 3.6 11.5 1.0
O A:HOH613 3.6 31.3 1.0
CB A:PRO13 4.0 12.2 1.0
CD A:PRO247 4.0 9.6 0.5
C A:PRO13 4.1 11.3 1.0
N A:GLU14 4.2 12.4 1.0
O A:PRO13 4.2 11.5 1.0
CA A:GLU14 4.3 13.7 1.0
CD A:PRO247 4.3 9.2 0.5
CG A:PRO247 4.3 9.1 0.5
CB A:PRO247 4.5 9.4 0.5
CD A:GLN249 4.5 10.8 1.0
OE1 A:GLN249 4.5 13.2 1.0
CA A:PRO13 4.7 11.2 1.0
CB A:GLU14 4.7 17.7 1.0
CB A:PRO247 5.0 9.2 0.5

Bromine binding site 6 out of 10 in 4ygj

Go back to Bromine Binding Sites List in 4ygj
Bromine binding site 6 out of 10 in the Nabr--Interactions Between Hofmeister Anions and the Binding Pocket of A Protein


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Nabr--Interactions Between Hofmeister Anions and the Binding Pocket of A Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br307

b:47.3
occ:0.50
 NZ A:LYS213 3.5 33.7 1.0
CB A:GLU214 3.8 10.4 1.0
CA A:GLU214 3.8 9.9 1.0
CG A:LYS213 4.0 14.9 1.0
CG A:GLU214 4.1 12.1 1.0
N A:GLU214 4.1 9.5 1.0
CD A:LYS213 4.3 19.7 1.0
O A:LYS213 4.3 11.9 1.0
C A:LYS213 4.4 9.6 1.0
CE A:LYS213 4.4 31.5 1.0
CD A:GLU214 4.7 15.4 1.0
CB A:LYS213 4.8 12.1 1.0
CD A:PRO215 4.9 10.3 0.5
CD A:PRO215 4.9 10.9 0.5

Bromine binding site 7 out of 10 in 4ygj

Go back to Bromine Binding Sites List in 4ygj
Bromine binding site 7 out of 10 in the Nabr--Interactions Between Hofmeister Anions and the Binding Pocket of A Protein


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Nabr--Interactions Between Hofmeister Anions and the Binding Pocket of A Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br308

b:32.7
occ:0.50
 O A:HOH574 3.3 19.2 1.0
CE2 A:PHE260 3.7 20.2 1.0
CZ A:PHE260 3.9 17.8 1.0
CB A:THR35 3.9 14.7 1.0
CZ2 A:TRP192 4.0 11.9 1.0
O A:HOH456 4.0 24.9 1.0
CG2 A:THR35 4.1 15.4 1.0
CD A:LYS213 4.3 19.7 1.0
O A:HOH663 4.5 30.9 1.0
OG1 A:THR35 4.5 14.6 1.0
CE2 A:TRP192 4.7 10.3 1.0
NE1 A:TRP192 4.7 11.2 1.0
O A:THR35 4.8 17.9 1.0
CH2 A:TRP192 4.9 11.7 1.0
CD2 A:PHE260 4.9 17.7 1.0
CA A:THR35 4.9 13.7 1.0

Bromine binding site 8 out of 10 in 4ygj

Go back to Bromine Binding Sites List in 4ygj
Bromine binding site 8 out of 10 in the Nabr--Interactions Between Hofmeister Anions and the Binding Pocket of A Protein


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Nabr--Interactions Between Hofmeister Anions and the Binding Pocket of A Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br309

b:26.2
occ:0.50
 O A:HOH430 3.0 18.8 1.0
O A:HOH463 3.0 32.7 1.0
CE A:LYS257 3.7 21.3 1.0
CD A:LYS257 4.0 18.6 1.0
NZ A:LYS257 4.1 24.8 1.0
OD2 A:ASP41 4.2 16.6 1.0
CG A:LYS257 4.2 13.8 1.0
CG A:ASP41 4.3 15.1 1.0
CB A:ASP41 4.4 14.8 1.0
CD A:LYS39 4.4 30.9 1.0
CB A:LYS39 4.4 22.9 1.0
CG A:LYS39 4.8 31.3 1.0
OE1 A:GLN255 4.8 52.4 0.5
O A:HOH450 4.9 28.0 1.0
OD1 A:ASP41 4.9 16.9 1.0
O A:HOH419 4.9 22.1 1.0
CG A:GLN255 4.9 12.6 0.5

Bromine binding site 9 out of 10 in 4ygj

Go back to Bromine Binding Sites List in 4ygj
Bromine binding site 9 out of 10 in the Nabr--Interactions Between Hofmeister Anions and the Binding Pocket of A Protein


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of Nabr--Interactions Between Hofmeister Anions and the Binding Pocket of A Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br310

b:25.8
occ:0.50
 O A:HOH661 2.7 29.7 1.0
O A:HOH508 2.9 26.6 1.0
NZ A:LYS154 3.0 17.8 1.0
N A:SER217 3.5 11.4 1.0
CA A:ILE216 3.7 9.9 1.0
O A:HOH467 3.8 25.0 1.0
O A:HOH449 3.8 17.7 1.0
CB A:ILE216 3.9 10.7 1.0
CD A:LYS154 4.0 17.1 1.0
CE A:LYS154 4.0 18.2 1.0
CG2 A:ILE216 4.0 12.0 1.0
C A:ILE216 4.1 10.6 1.0
OG A:SER217 4.1 19.5 0.3
CB A:SER217 4.5 12.0 0.3
O A:PRO215 4.5 12.7 1.0
CB A:SER217 4.5 13.3 0.4
CA A:SER217 4.5 11.3 0.3
CA A:SER217 4.5 11.7 0.4
O A:SER217 4.6 12.3 1.0
CA A:SER217 4.6 12.4 0.3
O A:HOH458 4.6 24.4 1.0
N A:ILE216 4.8 9.7 1.0
OG A:SER217 4.9 11.2 0.3
CB A:SER217 4.9 17.4 0.3
CA A:PRO186 4.9 13.1 1.0
O A:LEU185 5.0 11.6 0.5

Bromine binding site 10 out of 10 in 4ygj

Go back to Bromine Binding Sites List in 4ygj
Bromine binding site 10 out of 10 in the Nabr--Interactions Between Hofmeister Anions and the Binding Pocket of A Protein


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of Nabr--Interactions Between Hofmeister Anions and the Binding Pocket of A Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br311

b:29.4
occ:0.50
 OD1 A:ASP165 2.4 77.9 1.0
O A:HOH577 3.1 19.2 1.0
CG A:ASP165 3.4 56.2 1.0
O A:HOH446 3.5 25.1 1.0
CE A:LYS228 3.7 28.8 1.0
CD A:LYS228 3.7 22.9 1.0
OD2 A:ASP165 3.8 70.0 1.0
CG A:LYS225 3.9 17.6 1.0
CD A:LYS225 4.2 17.6 1.0
CB A:LYS225 4.2 15.9 1.0
O A:HOH627 4.3 26.4 1.0
CB A:LYS228 4.6 13.3 1.0
CB A:ASP165 4.6 34.4 1.0
CE A:LYS225 4.7 18.9 1.0
CA A:LYS225 4.7 13.5 1.0
N A:ASP165 4.7 16.1 1.0
CG A:LYS228 4.8 15.9 1.0
CA A:ASP165 4.8 20.1 1.0
O A:LYS225 4.8 12.9 1.0
O A:HOH575 4.8 22.3 1.0

Reference:

J.M.Fox, K.Kang, W.Sherman, A.Heroux, M.Sastry, M.Baghbanzadeh, M.R.Lockett, G.M.Whitesides. Interactions Between Hofmeister Anions and the Binding Pocket of A Protein. J.Am.Chem.Soc. 2015.
ISSN: ESSN 1520-5126
PubMed: 25738615
DOI: 10.1021/JACS.5B00187
Page generated: Wed Jul 10 23:05:36 2024

Last articles

Zn in 9J0N
Zn in 9J0O
Zn in 9J0P
Zn in 9FJX
Zn in 9EKB
Zn in 9C0F
Zn in 9CAH
Zn in 9CH0
Zn in 9CH3
Zn in 9CH1
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy