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Chlorine in PDB 4wr5: Crystal Structure of Gst Mutated with Halogenated Tyrosine (7CGST-1)

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

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

Protein crystallography data

The structure of Crystal Structure of Gst Mutated with Halogenated Tyrosine (7CGST-1), PDB code: 4wr5 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) 39.35 / 1.93
Space group P 65 2 2
Cell size a, b, c (Å), α, β, γ (°) 63.700, 63.700, 224.610, 90.00, 90.00, 120.00
R / Rfree (%) 18.7 / 23.3

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Gst Mutated with Halogenated Tyrosine (7CGST-1) (pdb code 4wr5). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Crystal Structure of Gst Mutated with Halogenated Tyrosine (7CGST-1), PDB code: 4wr5:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 4wr5

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


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Gst Mutated with Halogenated Tyrosine (7CGST-1) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl0

b:29.5
occ:1.00
 CL A:3CT0 0.0 29.5 1.0
CE2 A:3CT0 1.5 29.0 1.0
CD2 A:3CT0 2.5 23.1 1.0
CZ A:3CT0 2.6 26.5 1.0
OH A:3CT0 2.9 28.4 1.0
O A:ILE58 3.4 21.6 1.0
CA A:ASP59 3.6 23.5 1.0
C A:ASP59 3.7 25.9 1.0
O A:SER1 3.8 28.7 1.0
CE1 A:3CT0 3.8 26.8 1.0
CG A:3CT0 3.8 25.0 1.0
C A:ILE58 3.9 22.1 1.0
N A:ASP59 4.0 20.9 1.0
N A:GLY60 4.0 26.5 1.0
O A:ASP59 4.0 29.9 1.0
CG2 A:ILE58 4.2 23.9 1.0
CA A:PRO2 4.3 23.2 1.0
CD1 A:3CT0 4.3 25.2 1.0
O A:HOH404 4.4 28.1 1.0
C A:SER1 4.6 28.6 1.0
N A:ILE3 4.7 19.8 1.0
CG1 A:ILE3 4.8 30.2 1.0
N A:PRO2 4.8 27.5 1.0
CA A:GLY60 4.8 30.5 1.0
C A:PRO2 4.9 21.8 1.0
CB A:ASP59 4.9 23.1 1.0
CB A:ILE58 4.9 22.0 1.0

Chlorine binding site 2 out of 7 in 4wr5

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


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Gst Mutated with Halogenated Tyrosine (7CGST-1) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl22

b:32.8
occ:1.00
 CL A:3CT22 0.0 32.8 1.0
CE2 A:3CT22 1.5 22.8 1.0
CZ A:3CT22 2.5 21.5 1.0
CD2 A:3CT22 2.5 17.2 1.0
OH A:3CT22 2.7 26.5 1.0
CE A:MET80 3.6 20.6 1.0
CE1 A:3CT22 3.8 19.7 1.0
CG A:3CT22 3.8 19.2 1.0
CD2 A:LEU23 3.9 20.4 1.0
CB A:VAL147 4.1 19.5 1.0
SD A:MET80 4.1 22.8 1.0
CG1 A:VAL147 4.2 20.5 1.0
CD1 A:3CT22 4.3 15.8 1.0
O A:VAL147 4.4 18.0 1.0
C A:VAL147 4.9 19.6 1.0
CG A:LEU23 4.9 18.8 1.0

Chlorine binding site 3 out of 7 in 4wr5

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


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Gst Mutated with Halogenated Tyrosine (7CGST-1) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl32

b:36.1
occ:1.00
 CL A:3CT32 0.0 36.1 1.0
CE2 A:3CT32 1.5 28.1 1.0
CZ A:3CT32 2.5 24.0 1.0
CD2 A:3CT32 2.5 23.6 1.0
OH A:3CT32 2.9 29.1 1.0
O A:LYS39 3.8 34.0 1.0
CA A:TRP40 3.8 29.6 1.0
CE1 A:3CT32 3.8 21.6 1.0
CG A:3CT32 3.8 24.7 1.0
CG A:LYS39 3.9 33.5 1.0
CD A:LYS43 3.9 35.4 1.0
N A:TRP40 4.0 31.9 1.0
C A:LYS39 4.0 33.7 1.0
CE A:LYS39 4.1 38.1 1.0
CE3 A:TRP40 4.3 24.7 1.0
CB A:LYS43 4.3 31.2 1.0
CG A:LYS43 4.3 30.9 1.0
CD1 A:3CT32 4.3 20.8 1.0
CB A:TRP40 4.4 25.1 1.0
CD A:LYS39 4.5 37.4 1.0
NZ A:LYS39 4.6 44.8 1.0
CB A:LYS39 4.7 28.8 1.0
CE A:LYS43 4.8 40.1 1.0
C A:TRP40 4.9 28.1 1.0

Chlorine binding site 4 out of 7 in 4wr5

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


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Gst Mutated with Halogenated Tyrosine (7CGST-1) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl57

b:24.7
occ:1.00
 CL A:3CT57 0.0 24.7 1.0
CE2 A:3CT57 1.5 23.2 1.0
CD2 A:3CT57 2.6 16.9 1.0
CZ A:3CT57 2.6 21.5 1.0
OH A:3CT57 2.9 25.2 1.0
CB A:TYR27 3.8 25.6 1.0
CD1 A:LEU20 3.8 14.3 1.0
CE1 A:3CT57 3.8 21.1 1.0
CG A:3CT57 3.8 15.6 1.0
CB A:PRO2 4.0 23.6 1.0
CB A:LEU4 4.1 17.8 1.0
CD2 A:LEU20 4.1 15.9 1.0
CD1 A:3CT57 4.3 22.2 1.0
CD1 A:ILE74 4.4 16.0 1.0
N A:LEU4 4.4 18.0 1.0
CG A:TYR27 4.5 26.0 1.0
C A:ILE3 4.5 22.5 1.0
C A:PRO2 4.6 21.8 1.0
CG A:LEU20 4.6 13.6 1.0
CA A:LEU4 4.7 19.5 1.0
O A:ILE3 4.7 18.4 1.0
O A:PRO2 4.7 25.3 1.0
CD1 A:LEU4 4.7 16.9 1.0
CG A:PRO2 4.7 28.7 1.0
CD2 A:TYR27 4.8 19.7 1.0
N A:ILE3 4.8 19.8 1.0
CG A:LEU4 4.9 20.2 1.0
CA A:PRO2 4.9 23.2 1.0
CA A:TYR27 5.0 28.3 1.0

Chlorine binding site 5 out of 7 in 4wr5

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


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Gst Mutated with Halogenated Tyrosine (7CGST-1) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl73

b:25.2
occ:1.00
 CL A:3CT73 0.0 25.2 1.0
CE2 A:3CT73 1.5 21.4 1.0
CZ A:3CT73 2.5 21.9 1.0
CD2 A:3CT73 2.6 17.5 1.0
OH A:3CT73 2.8 25.8 1.0
O A:HOH455 3.5 26.9 1.0
CG1 A:VAL62 3.5 21.5 1.0
CE1 A:3CT73 3.8 20.3 1.0
CG A:3CT73 3.8 17.9 1.0
CD A:LYS77 4.0 22.6 1.0
CD1 A:3CT73 4.3 18.1 1.0
CG A:LYS77 4.4 23.1 1.0
CB A:VAL62 4.7 23.3 1.0
CG2 A:VAL62 4.8 21.6 1.0
CE A:LYS77 5.0 28.1 1.0

Chlorine binding site 6 out of 7 in 4wr5

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


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Gst Mutated with Halogenated Tyrosine (7CGST-1) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl141

b:27.1
occ:1.00
 CL A:3CT141 0.0 27.1 1.0
CE2 A:3CT141 1.5 19.3 1.0
CZ A:3CT141 2.5 23.9 1.0
CD2 A:3CT141 2.5 18.2 1.0
OH A:3CT141 2.8 29.3 1.0
CG A:ARG181 3.7 16.4 1.0
O A:HOH432 3.7 21.1 1.0
CE1 A:3CT141 3.8 24.0 1.0
CG A:3CT141 3.8 18.8 1.0
CD1 A:ILE182 3.9 13.6 1.0
CD1 A:ILE185 4.0 18.3 1.0
CD A:ARG181 4.0 18.9 1.0
CG1 A:ILE185 4.1 20.3 1.0
O A:ARG181 4.1 14.9 1.0
CG2 A:VAL147 4.2 18.3 1.0
CD1 A:3CT141 4.3 20.7 1.0
C A:ARG181 4.4 18.1 1.0
CB A:ARG181 4.5 16.2 1.0
N A:ILE182 4.6 14.1 1.0
CA A:ILE182 4.7 13.6 1.0
CG2 A:THR140 4.7 22.3 1.0
CG1 A:ILE182 4.8 12.7 1.0
O A:THR140 4.9 19.1 1.0

Chlorine binding site 7 out of 7 in 4wr5

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


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Gst Mutated with Halogenated Tyrosine (7CGST-1) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl163

b:33.4
occ:1.00
 CL A:3CT163 0.0 33.4 1.0
CE2 A:3CT163 1.5 25.0 1.0
CZ A:3CT163 2.5 21.9 1.0
CD2 A:3CT163 2.5 20.6 1.0
OH A:3CT163 2.9 24.7 1.0
CE1 A:3CT163 3.8 18.4 1.0
CG A:3CT163 3.8 15.9 1.0
CB A:PRO215 3.9 33.8 1.0
CG A:PRO215 4.1 27.1 1.0
CZ3 A:TRP200 4.2 19.7 1.0
CD1 A:3CT163 4.3 16.5 1.0
CE3 A:TRP200 4.5 24.7 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: Fri Jul 26 03:01:54 2024

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