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Bromine in PDB 4wr4: Crystal Structure of Gst Mutated with Halogenated Tyrosine (7BGST-1)

Enzymatic activity of Crystal Structure of Gst Mutated with Halogenated Tyrosine (7BGST-1)

All present enzymatic activity of Crystal Structure of Gst Mutated with Halogenated Tyrosine (7BGST-1):
2.5.1.18;

Protein crystallography data

The structure of Crystal Structure of Gst Mutated with Halogenated Tyrosine (7BGST-1), PDB code: 4wr4 was solved by R.Akasaka, M.Kawazoe, Y.Tomabechi, K.Ohtake, T.Itagaki, C.Takemoto, M.Shirouzu, S.Yokoyama, K.Sakamoto, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.51 / 1.60
Space group P 65 2 2
Cell size a, b, c (Å), α, β, γ (°) 63.850, 63.850, 225.020, 90.00, 90.00, 120.00
R / Rfree (%) 19.1 / 22.2

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of Gst Mutated with Halogenated Tyrosine (7BGST-1) (pdb code 4wr4). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 7 binding sites of Bromine where determined in the Crystal Structure of Gst Mutated with Halogenated Tyrosine (7BGST-1), PDB code: 4wr4:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7;

Bromine binding site 1 out of 7 in 4wr4

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Bromine binding site 1 out of 7 in the Crystal Structure of Gst Mutated with Halogenated Tyrosine (7BGST-1)


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of Gst Mutated with Halogenated Tyrosine (7BGST-1) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br0

b:28.1
occ:1.00
 BR A:BYR0 0.0 28.1 1.0
CE2 A:BYR0 1.9 27.2 1.0
CD2 A:BYR0 2.9 24.9 1.0
CZ A:BYR0 2.9 25.5 1.0
OH A:BYR0 3.1 26.8 1.0
O A:ILE58 3.4 25.1 1.0
CA A:ASP59 3.7 25.7 1.0
C A:ASP59 3.9 29.4 1.0
C A:ILE58 3.9 19.9 1.0
O A:SER1 4.0 28.5 1.0
N A:ASP59 4.1 21.7 1.0
CG2 A:ILE58 4.2 26.0 1.0
CG A:BYR0 4.2 25.6 1.0
CE1 A:BYR0 4.2 26.1 1.0
N A:GLY60 4.2 27.2 1.0
CA A:PRO2 4.2 25.0 1.0
O A:ASP59 4.2 28.7 1.0
O A:HOH405 4.2 34.2 1.0
CG1 A:ILE3 4.4 35.0 1.0
O A:HOH529 4.5 36.1 1.0
N A:ILE3 4.6 19.1 1.0
CD1 A:BYR0 4.7 26.1 1.0
C A:SER1 4.7 28.8 1.0
N A:PRO2 4.8 29.4 1.0
CB A:ILE58 4.8 25.8 1.0
C A:PRO2 4.9 24.9 1.0
CA A:GLY60 5.0 29.2 1.0
CB A:ASP59 5.0 28.2 1.0

Bromine binding site 2 out of 7 in 4wr4

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Bromine binding site 2 out of 7 in the Crystal Structure of Gst Mutated with Halogenated Tyrosine (7BGST-1)


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of Gst Mutated with Halogenated Tyrosine (7BGST-1) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br22

b:36.0
occ:1.00
 BR A:BYR22 0.0 36.0 1.0
CE2 A:BYR22 1.9 23.9 1.0
CZ A:BYR22 2.8 19.4 1.0
OH A:BYR22 2.8 30.6 1.0
CD2 A:BYR22 2.9 18.9 1.0
O A:HOH521 3.4 33.8 1.0
CE A:MET80 3.6 23.6 1.0
CD2 A:LEU23 4.0 21.1 1.0
SD A:MET80 4.0 23.7 1.0
CE1 A:BYR22 4.1 21.2 1.0
CB A:VAL147 4.1 20.3 1.0
CG A:BYR22 4.2 22.5 1.0
CG1 A:VAL147 4.2 22.2 1.0
O A:VAL147 4.2 20.1 1.0
O A:HOH507 4.5 32.3 1.0
CD1 A:BYR22 4.6 24.1 1.0
C A:VAL147 4.8 19.6 1.0
CA A:VAL147 5.0 21.0 1.0

Bromine binding site 3 out of 7 in 4wr4

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Bromine binding site 3 out of 7 in the Crystal Structure of Gst Mutated with Halogenated Tyrosine (7BGST-1)


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Crystal Structure of Gst Mutated with Halogenated Tyrosine (7BGST-1) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br32

b:39.5
occ:1.00
 BR A:BYR32 0.0 39.5 1.0
CE2 A:BYR32 1.9 19.5 1.0
CD2 A:BYR32 2.8 31.4 1.0
CZ A:BYR32 2.9 30.7 1.0
OH A:BYR32 3.0 32.2 1.0
CA A:TRP40 3.8 29.3 1.0
CG A:LYS39 3.8 42.7 1.0
O A:LYS39 3.8 31.8 1.0
CD A:LYS43 3.9 62.6 1.0
N A:TRP40 3.9 34.4 1.0
C A:LYS39 4.0 36.9 1.0
CE A:LYS39 4.0 70.2 1.0
CG A:BYR32 4.1 24.0 1.0
CE1 A:BYR32 4.1 16.0 1.0
CD A:LYS39 4.2 55.0 1.0
CB A:LYS43 4.2 40.5 1.0
CE3 A:TRP40 4.4 23.1 1.0
CB A:TRP40 4.4 27.4 1.0
CG A:LYS43 4.5 48.4 1.0
CB A:LYS39 4.6 35.9 1.0
CD1 A:BYR32 4.6 25.3 1.0
CE A:LYS43 4.7 64.1 1.0
NZ A:LYS43 4.9 57.8 1.0
CA A:LYS39 4.9 29.6 1.0
C A:TRP40 4.9 28.2 1.0

Bromine binding site 4 out of 7 in 4wr4

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Bromine binding site 4 out of 7 in the Crystal Structure of Gst Mutated with Halogenated Tyrosine (7BGST-1)


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Crystal Structure of Gst Mutated with Halogenated Tyrosine (7BGST-1) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br57

b:25.9
occ:1.00
 BR A:BYR57 0.0 25.9 1.0
CE2 A:BYR57 1.9 20.1 1.0
CD2 A:BYR57 2.8 18.1 1.0
CZ A:BYR57 2.9 23.8 1.0
OH A:BYR57 3.1 24.9 1.0
CB A:TYR27 3.7 28.3 1.0
CD1 A:LEU20 3.7 19.0 1.0
O A:HOH523 3.9 31.5 1.0
CG A:PRO2 4.0 33.1 1.0
CD2 A:LEU20 4.0 20.7 1.0
CB A:PRO2 4.1 23.7 1.0
CB A:LEU4 4.1 22.4 1.0
CG A:BYR57 4.1 16.8 1.0
CE1 A:BYR57 4.2 24.9 1.0
CG A:TYR27 4.4 23.4 1.0
CD1 A:ILE74 4.5 19.2 1.0
CG A:LEU20 4.5 21.4 1.0
N A:LEU4 4.5 19.9 1.0
C A:PRO2 4.6 24.9 1.0
C A:ILE3 4.6 25.1 1.0
O A:PRO2 4.6 24.4 1.0
O A:ILE3 4.6 22.0 1.0
CD1 A:BYR57 4.7 22.7 1.0
CD2 A:TYR27 4.7 21.9 1.0
CA A:LEU4 4.8 20.6 1.0
N A:ILE3 4.8 19.1 1.0
CD1 A:LEU4 4.9 19.9 1.0
CA A:PRO2 5.0 25.0 1.0
CG A:LEU4 5.0 23.6 1.0

Bromine binding site 5 out of 7 in 4wr4

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Bromine binding site 5 out of 7 in the Crystal Structure of Gst Mutated with Halogenated Tyrosine (7BGST-1)


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Crystal Structure of Gst Mutated with Halogenated Tyrosine (7BGST-1) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br73

b:26.6
occ:1.00
 BR A:BYR73 0.0 26.6 1.0
CE2 A:BYR73 1.9 23.2 1.0
CD2 A:BYR73 2.8 18.6 1.0
CZ A:BYR73 2.9 24.1 1.0
OH A:BYR73 3.1 26.2 1.0
CG1 A:VAL62 3.6 27.9 1.0
O A:HOH495 3.6 30.4 1.0
CD A:LYS77 4.0 25.3 1.0
CG A:BYR73 4.1 17.7 1.0
CE1 A:BYR73 4.2 24.3 1.0
CG A:LYS77 4.5 25.8 1.0
CD1 A:BYR73 4.7 19.2 1.0
CB A:VAL62 4.9 23.5 1.0
NZ A:LYS77 4.9 45.7 1.0
CE A:LYS77 4.9 34.5 1.0
CG2 A:VAL62 5.0 26.6 1.0

Bromine binding site 6 out of 7 in 4wr4

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Bromine binding site 6 out of 7 in the Crystal Structure of Gst Mutated with Halogenated Tyrosine (7BGST-1)


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Crystal Structure of Gst Mutated with Halogenated Tyrosine (7BGST-1) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br141

b:27.6
occ:1.00
 BR A:BYR141 0.0 27.6 1.0
CE2 A:BYR141 1.9 19.9 1.0
CD2 A:BYR141 2.9 19.1 1.0
CZ A:BYR141 2.9 26.2 1.0
OH A:BYR141 3.1 29.3 1.0
CG A:ARG181 3.7 16.3 1.0
O A:HOH434 3.8 23.1 1.0
CD1 A:ILE185 3.8 18.8 1.0
CD1 A:ILE182 3.9 19.2 1.0
CG1 A:ILE185 4.0 18.6 1.0
CD A:ARG181 4.0 16.3 1.0
O A:ARG181 4.0 15.7 1.0
CG A:BYR141 4.1 17.1 1.0
C A:ARG181 4.2 16.8 1.0
CE1 A:BYR141 4.2 28.8 1.0
CG2 A:VAL147 4.3 19.7 1.0
N A:ILE182 4.4 18.6 1.0
CB A:ARG181 4.4 15.6 1.0
CA A:ILE182 4.5 16.4 1.0
CD1 A:BYR141 4.7 23.3 1.0
CG1 A:ILE182 4.8 16.2 1.0
CG2 A:THR140 4.9 24.0 1.0
O A:THR140 4.9 18.8 1.0
CA A:ARG181 5.0 17.7 1.0

Bromine binding site 7 out of 7 in 4wr4

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Bromine binding site 7 out of 7 in the Crystal Structure of Gst Mutated with Halogenated Tyrosine (7BGST-1)


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Crystal Structure of Gst Mutated with Halogenated Tyrosine (7BGST-1) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br163

b:36.3
occ:1.00
 BR A:BYR163 0.0 36.3 1.0
CE2 A:BYR163 2.0 22.7 1.0
CD2 A:BYR163 2.9 24.0 1.0
CZ A:BYR163 2.9 23.0 1.0
OH A:BYR163 3.1 29.2 1.0
CB A:PRO215 3.8 44.2 1.0
CG A:PRO215 4.1 36.7 1.0
CG A:BYR163 4.2 16.8 1.0
CE1 A:BYR163 4.2 20.6 1.0
CZ3 A:TRP200 4.5 23.1 1.0
CD1 A:BYR163 4.7 19.6 1.0
CE3 A:TRP200 4.7 28.4 1.0

Reference:

K.Ohtake, A.Yamaguchi, T.Mukai, H.Kashimura, N.Hirano, M.Haruki, S.Kohashi, K.Yamagishi, K.Murayama, Y.Tomabechi, T.Itagaki, R.Akasaka, M.Kawazoe, C.Takemoto, M.Shirouzu, S.Yokoyama, K.Sakamoto. Protein Stabilization Utilizing A Redefined Codon Sci Rep V. 5 9762 2015.
ISSN: ESSN 2045-2322
PubMed: 25985257
DOI: 10.1038/SREP09762
Page generated: Wed Jul 10 22:51:43 2024

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