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Chlorine in PDB 4jyl: Crystal Structure of Enoyl-Coa Hydratase From Thermoplasma Volcanium GSS1

Enzymatic activity of Crystal Structure of Enoyl-Coa Hydratase From Thermoplasma Volcanium GSS1

All present enzymatic activity of Crystal Structure of Enoyl-Coa Hydratase From Thermoplasma Volcanium GSS1:
4.2.1.17;

Protein crystallography data

The structure of Crystal Structure of Enoyl-Coa Hydratase From Thermoplasma Volcanium GSS1, PDB code: 4jyl was solved by I.G.Shabalin, D.R.Cooper, K.A.Majorek, K.Mikolajczak, P.J.Porebski, M.Stead, B.S.Hillerich, M.Ahmed, J.Bonanno, R.Seidel, S.C.Almo, W.Minor, New York Structural Genomics Research Consortium (Nysgrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.78 / 2.37
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 80.102, 117.229, 91.505, 90.00, 91.43, 90.00
R / Rfree (%) 15.7 / 19.1

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Enoyl-Coa Hydratase From Thermoplasma Volcanium GSS1 (pdb code 4jyl). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure of Enoyl-Coa Hydratase From Thermoplasma Volcanium GSS1, PDB code: 4jyl:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 4jyl

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Chlorine binding site 1 out of 6 in the Crystal Structure of Enoyl-Coa Hydratase From Thermoplasma Volcanium GSS1


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 Enoyl-Coa Hydratase From Thermoplasma Volcanium GSS1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:34.6
occ:1.00
 O A:HOH467 3.0 30.3 1.0
N A:ALA61 3.2 26.4 1.0
N A:GLY106 3.2 23.4 1.0
CA A:GLY105 3.7 22.6 1.0
CB A:ALA61 3.8 26.3 1.0
CA A:GLY60 3.8 27.7 1.0
CB A:GLU129 3.8 25.2 1.0
C A:GLY105 4.0 23.7 1.0
C A:GLY60 4.0 27.8 1.0
CA A:ALA61 4.1 26.1 1.0
CD A:GLU129 4.1 30.9 1.0
CA A:GLY106 4.2 24.7 1.0
OE1 A:GLU129 4.3 31.3 1.0
CG A:GLU129 4.3 28.5 1.0
OE2 A:GLU129 4.4 29.2 1.0
O A:ALA61 4.5 25.3 1.0
N A:GLY105 4.8 22.5 1.0
C A:ALA61 4.8 26.0 1.0
O A:ALA59 4.9 29.1 1.0

Chlorine binding site 2 out of 6 in 4jyl

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Chlorine binding site 2 out of 6 in the Crystal Structure of Enoyl-Coa Hydratase From Thermoplasma Volcanium GSS1


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 Enoyl-Coa Hydratase From Thermoplasma Volcanium GSS1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl301

b:27.4
occ:1.00
 N B:ALA61 3.2 26.1 1.0
N B:GLY106 3.2 21.3 1.0
CA B:GLY105 3.7 21.2 1.0
CB B:ALA61 3.8 26.3 1.0
CA B:GLY60 3.9 24.4 1.0
CB B:GLU129 3.9 23.2 1.0
C B:GLY105 4.0 20.9 1.0
C B:GLY60 4.0 25.7 1.0
CA B:ALA61 4.1 26.4 1.0
CD B:GLU129 4.1 27.3 1.0
CA B:GLY106 4.2 20.1 1.0
OE1 B:GLU129 4.3 28.4 1.0
CG B:GLU129 4.3 24.8 1.0
OE2 B:GLU129 4.5 31.1 1.0
O B:ALA61 4.5 34.0 1.0
C B:ALA61 4.8 27.9 1.0
N B:GLY105 4.8 21.4 1.0
O B:ALA59 4.9 27.8 1.0

Chlorine binding site 3 out of 6 in 4jyl

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Chlorine binding site 3 out of 6 in the Crystal Structure of Enoyl-Coa Hydratase From Thermoplasma Volcanium GSS1


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 Enoyl-Coa Hydratase From Thermoplasma Volcanium GSS1 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl301

b:36.5
occ:1.00
 N C:ALA61 3.1 29.1 1.0
N C:GLY106 3.1 24.7 1.0
O C:HOH477 3.3 38.2 1.0
CA C:GLY105 3.7 27.6 1.0
CB C:ALA61 3.8 26.5 1.0
CA C:GLY60 3.8 31.0 1.0
C C:GLY105 3.9 27.0 1.0
C C:GLY60 3.9 29.8 1.0
CA C:ALA61 4.0 28.2 1.0
CB C:GLU129 4.0 26.4 1.0
CA C:GLY106 4.0 25.2 1.0
CD C:GLU129 4.2 29.4 1.0
OE1 C:GLU129 4.3 26.6 1.0
CG C:GLU129 4.4 27.1 1.0
OE2 C:GLU129 4.4 33.2 1.0
O C:ALA61 4.5 30.1 1.0
C C:ALA61 4.8 28.5 1.0
N C:GLY105 4.8 27.5 1.0
O C:ALA59 5.0 33.2 1.0

Chlorine binding site 4 out of 6 in 4jyl

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Chlorine binding site 4 out of 6 in the Crystal Structure of Enoyl-Coa Hydratase From Thermoplasma Volcanium GSS1


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 Enoyl-Coa Hydratase From Thermoplasma Volcanium GSS1 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl301

b:29.2
occ:1.00
 N D:ALA61 3.2 21.9 1.0
N D:GLY106 3.2 22.8 1.0
CA D:GLY105 3.7 21.6 1.0
CB D:ALA61 3.7 23.5 1.0
CB D:GLU129 3.9 23.9 1.0
CA D:GLY60 3.9 24.7 1.0
C D:GLY105 4.0 20.6 1.0
C D:GLY60 4.0 24.6 1.0
CA D:ALA61 4.0 22.8 1.0
CD D:GLU129 4.1 24.5 1.0
CA D:GLY106 4.1 23.4 1.0
CG D:GLU129 4.3 25.4 1.0
OE1 D:GLU129 4.3 24.8 1.0
OE2 D:GLU129 4.4 21.9 1.0
O D:ALA61 4.6 22.5 1.0
C D:ALA61 4.8 24.5 1.0
N D:GLY105 4.9 21.5 1.0

Chlorine binding site 5 out of 6 in 4jyl

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Chlorine binding site 5 out of 6 in the Crystal Structure of Enoyl-Coa Hydratase From Thermoplasma Volcanium GSS1


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 Enoyl-Coa Hydratase From Thermoplasma Volcanium GSS1 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl301

b:43.2
occ:1.00
 N E:GLY106 3.1 22.8 1.0
N E:ALA61 3.2 27.7 1.0
CB E:ALA61 3.7 25.3 1.0
CA E:GLY105 3.8 22.8 1.0
CA E:GLY106 3.9 22.6 1.0
C E:GLY105 3.9 22.9 1.0
CB E:GLU129 4.0 28.0 1.0
CA E:ALA61 4.0 26.9 1.0
CA E:GLY60 4.1 29.6 1.0
CD E:GLU129 4.1 33.6 1.0
C E:GLY60 4.1 30.3 1.0
CG E:GLU129 4.3 30.8 1.0
OE2 E:GLU129 4.3 35.9 1.0
OE1 E:GLU129 4.3 31.5 1.0
O E:ALA61 4.8 32.7 1.0
C E:ALA61 4.9 27.4 1.0
CA E:GLY137 5.0 30.5 1.0
N E:GLY105 5.0 22.4 1.0

Chlorine binding site 6 out of 6 in 4jyl

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Chlorine binding site 6 out of 6 in the Crystal Structure of Enoyl-Coa Hydratase From Thermoplasma Volcanium GSS1


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 Enoyl-Coa Hydratase From Thermoplasma Volcanium GSS1 within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl301

b:45.5
occ:1.00
 N F:ALA61 3.2 34.6 1.0
N F:GLY106 3.2 33.6 1.0
CA F:GLY105 3.7 33.6 1.0
CB F:ALA61 3.8 34.3 1.0
CB F:GLU129 3.8 34.5 1.0
CA F:GLY60 3.9 33.6 1.0
C F:GLY105 4.0 34.2 1.0
CA F:ALA61 4.0 34.9 1.0
C F:GLY60 4.1 34.3 1.0
CD F:GLU129 4.1 39.8 1.0
CA F:GLY106 4.2 32.8 1.0
OE1 F:GLU129 4.2 40.2 1.0
CG F:GLU129 4.3 38.0 1.0
OE2 F:GLU129 4.4 40.1 1.0
O F:ALA61 4.5 36.8 1.0
C F:ALA61 4.8 35.0 1.0
N F:GLY105 4.9 34.0 1.0

Reference:

I.G.Shabalin, D.R.Cooper, K.A.Majorek, K.Mikolajczak, P.J.Porebski, M.Stead, B.S.Hillerich, M.Ahmed, J.Bonanno, R.Seidel, S.C.Almo, W.Minor, New York Structural Genomics Research Consortium (Nysgrc). Crystal Structure of Enoyl-Coa Hydratase From Thermoplasma Volcanium GSS1 To Be Published.
Page generated: Sat Dec 12 10:49:21 2020

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