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Chlorine in PDB 3w6a: Crystal Structure of Cross-Linked Tetragonal Hen Egg White Lysozyme Soaked Wiht 5MM [Ru(Benzene)CL2]2

Enzymatic activity of Crystal Structure of Cross-Linked Tetragonal Hen Egg White Lysozyme Soaked Wiht 5MM [Ru(Benzene)CL2]2

All present enzymatic activity of Crystal Structure of Cross-Linked Tetragonal Hen Egg White Lysozyme Soaked Wiht 5MM [Ru(Benzene)CL2]2:
3.2.1.17;

Protein crystallography data

The structure of Crystal Structure of Cross-Linked Tetragonal Hen Egg White Lysozyme Soaked Wiht 5MM [Ru(Benzene)CL2]2, PDB code: 3w6a was solved by H.Tabe, S.Abe, T.Hikage, S.Kitagawa, T.Ueno, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 27.95 / 1.77
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 79.046, 79.046, 36.358, 90.00, 90.00, 90.00
R / Rfree (%) 19.9 / 27.2

Other elements in 3w6a:

The structure of Crystal Structure of Cross-Linked Tetragonal Hen Egg White Lysozyme Soaked Wiht 5MM [Ru(Benzene)CL2]2 also contains other interesting chemical elements:

Ruthenium (Ru) 2 atoms
Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Cross-Linked Tetragonal Hen Egg White Lysozyme Soaked Wiht 5MM [Ru(Benzene)CL2]2 (pdb code 3w6a). 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 Cross-Linked Tetragonal Hen Egg White Lysozyme Soaked Wiht 5MM [Ru(Benzene)CL2]2, PDB code: 3w6a:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 3w6a

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Chlorine binding site 1 out of 6 in the Crystal Structure of Cross-Linked Tetragonal Hen Egg White Lysozyme Soaked Wiht 5MM [Ru(Benzene)CL2]2


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 Cross-Linked Tetragonal Hen Egg White Lysozyme Soaked Wiht 5MM [Ru(Benzene)CL2]2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:29.0
occ:1.00
 OH A:TYR23 3.0 24.0 1.0
CE2 A:TYR23 3.7 25.0 1.0
CZ A:TYR23 3.7 24.6 1.0
CA A:GLY104 4.1 24.6 1.0
O A:ARG21 4.6 28.4 1.0
N A:GLY104 4.7 23.1 1.0
CE1 A:TYR23 4.9 21.9 1.0
CD2 A:TYR23 4.9 23.3 1.0

Chlorine binding site 2 out of 6 in 3w6a

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Chlorine binding site 2 out of 6 in the Crystal Structure of Cross-Linked Tetragonal Hen Egg White Lysozyme Soaked Wiht 5MM [Ru(Benzene)CL2]2


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 Cross-Linked Tetragonal Hen Egg White Lysozyme Soaked Wiht 5MM [Ru(Benzene)CL2]2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:30.5
occ:1.00
 O A:HOH333 3.1 26.3 1.0
N A:THR69 3.2 25.5 1.0
O A:THR69 3.4 24.5 1.0
OG A:SER72 3.5 27.9 1.0
N A:ARG68 3.5 27.7 1.0
C A:GLY67 3.6 30.3 1.0
N A:GLY67 3.6 27.2 1.0
CA A:GLY67 3.6 27.9 1.0
OD1 A:ASN65 3.7 30.2 1.0
C A:THR69 3.8 26.3 1.0
CA A:THR69 3.9 24.1 1.0
O A:HOH332 4.0 28.4 1.0
C A:ARG68 4.1 26.2 1.0
CB A:THR69 4.2 27.2 1.0
OD1 A:ASP66 4.2 23.0 1.0
O A:GLY67 4.3 31.6 1.0
CA A:ARG68 4.3 28.5 1.0
C A:ASP66 4.6 26.5 1.0
N A:PRO70 4.7 29.0 1.0
NA A:NA205 4.7 29.8 1.0
OG1 A:THR69 4.7 25.8 1.0
CB A:SER72 4.8 29.1 1.0
N A:ASP66 4.8 23.8 1.0
CG A:ASN65 4.9 26.5 1.0

Chlorine binding site 3 out of 6 in 3w6a

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Chlorine binding site 3 out of 6 in the Crystal Structure of Cross-Linked Tetragonal Hen Egg White Lysozyme Soaked Wiht 5MM [Ru(Benzene)CL2]2


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 Cross-Linked Tetragonal Hen Egg White Lysozyme Soaked Wiht 5MM [Ru(Benzene)CL2]2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:44.1
occ:1.00
 O A:HOH319 2.9 31.1 1.0
NE A:ARG114 3.0 24.9 1.0
NH2 A:ARG114 3.4 26.1 1.0
CZ A:ARG114 3.7 25.1 1.0
CB A:ARG114 3.9 23.9 1.0
CG A:ARG114 3.9 27.7 1.0
CZ A:PHE34 3.9 28.3 1.0
CD A:ARG114 4.1 25.0 1.0
CE2 A:PHE34 4.2 26.2 1.0
CE1 A:PHE34 4.3 27.6 1.0
O A:ARG114 4.4 26.6 1.0
CA A:ARG114 4.4 26.0 1.0
O A:HOH318 4.8 35.3 1.0
CD2 A:PHE34 4.9 25.3 1.0
C A:ARG114 4.9 27.2 1.0
CD1 A:PHE34 4.9 23.6 1.0
NH1 A:ARG114 5.0 27.2 1.0

Chlorine binding site 4 out of 6 in 3w6a

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Chlorine binding site 4 out of 6 in the Crystal Structure of Cross-Linked Tetragonal Hen Egg White Lysozyme Soaked Wiht 5MM [Ru(Benzene)CL2]2


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 Cross-Linked Tetragonal Hen Egg White Lysozyme Soaked Wiht 5MM [Ru(Benzene)CL2]2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl204

b:40.4
occ:1.00
 O A:TYR53 2.8 20.5 1.0
OG A:SER91 2.9 25.4 1.0
N A:LEU56 2.9 22.5 1.0
N A:ILE55 3.3 23.6 1.0
C A:GLY54 3.4 21.7 1.0
CA A:GLY54 3.4 20.8 1.0
N A:GLN57 3.5 19.9 1.0
CB A:SER91 3.6 26.1 1.0
CA A:LEU56 3.6 23.2 1.0
C A:LEU56 3.7 21.4 1.0
CD1 A:ILE58 3.8 21.9 1.0
C A:TYR53 3.8 21.9 1.0
O A:HOH308 3.8 30.6 1.0
CG1 A:ILE58 3.8 22.4 1.0
CB A:LEU56 3.9 23.2 1.0
C A:ILE55 4.0 25.7 1.0
N A:ILE58 4.0 21.0 1.0
O A:GLY54 4.0 22.3 1.0
CA A:ILE55 4.1 24.6 1.0
N A:GLY54 4.1 20.1 1.0
CB A:ILE58 4.2 24.3 1.0
CG2 A:ILE55 4.2 31.1 1.0
O A:LEU83 4.3 26.5 1.0
CB A:LEU83 4.3 25.4 1.0
CD2 A:LEU83 4.4 30.4 1.0
CA A:SER91 4.5 24.7 1.0
O A:LEU56 4.6 21.3 1.0
CA A:GLN57 4.6 17.6 1.0
CB A:ILE55 4.7 29.2 1.0
CA A:ILE58 4.8 22.4 1.0
CG A:LEU56 4.8 24.6 1.0
C A:GLN57 4.8 20.3 1.0
CG A:LEU83 4.9 27.4 1.0
CD1 A:LEU83 4.9 24.9 1.0

Chlorine binding site 5 out of 6 in 3w6a

Go back to Chlorine Binding Sites List in 3w6a
Chlorine binding site 5 out of 6 in the Crystal Structure of Cross-Linked Tetragonal Hen Egg White Lysozyme Soaked Wiht 5MM [Ru(Benzene)CL2]2


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 Cross-Linked Tetragonal Hen Egg White Lysozyme Soaked Wiht 5MM [Ru(Benzene)CL2]2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl207

b:48.3
occ:0.60
 CL1 A:RBN207 0.0 48.3 0.6
RU1 A:RBN207 2.4 47.8 0.6
C1 A:RBN207 2.9 46.8 0.6
CL2 A:RBN207 3.0 55.7 0.6
C6 A:RBN207 3.3 48.3 0.6
NE2 A:HIS15 3.4 42.2 1.0
CD2 A:HIS15 3.4 39.3 1.0
C2 A:RBN207 3.5 49.9 0.6
CB A:ALA11 3.8 29.3 1.0
CA A:ALA11 3.8 29.3 1.0
O A:ALA11 4.1 30.9 1.0
C5 A:RBN207 4.1 50.5 0.6
CB A:ARG14 4.1 31.0 1.0
C3 A:RBN207 4.3 49.4 0.6
O A:HOH343 4.4 40.8 1.0
C A:ALA11 4.4 31.2 1.0
C4 A:RBN207 4.5 48.1 0.6
CE1 A:HIS15 4.7 45.4 1.0
CG A:HIS15 4.8 37.2 1.0
N A:ALA11 5.0 32.1 1.0

Chlorine binding site 6 out of 6 in 3w6a

Go back to Chlorine Binding Sites List in 3w6a
Chlorine binding site 6 out of 6 in the Crystal Structure of Cross-Linked Tetragonal Hen Egg White Lysozyme Soaked Wiht 5MM [Ru(Benzene)CL2]2


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 Cross-Linked Tetragonal Hen Egg White Lysozyme Soaked Wiht 5MM [Ru(Benzene)CL2]2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl207

b:55.7
occ:0.60
 CL2 A:RBN207 0.0 55.7 0.6
RU1 A:RBN207 2.4 47.8 0.6
CL1 A:RBN207 3.0 48.3 0.6
C3 A:RBN207 3.2 49.4 0.6
C2 A:RBN207 3.3 49.9 0.6
C4 A:RBN207 3.8 48.1 0.6
NE2 A:HIS15 4.0 42.2 1.0
C1 A:RBN207 4.1 46.8 0.6
CB A:ARG14 4.2 31.0 1.0
CD2 A:HIS15 4.4 39.3 1.0
C5 A:RBN207 4.5 50.5 0.6
C6 A:RBN207 4.6 48.3 0.6
CE1 A:HIS15 4.8 45.4 1.0

Reference:

T.Ueno, H.Tabe, S.Abe, T.Hikage, S.Kitagawa. Solid Artificial Metalloenzymes: Post-Engineering of Porous Protein Crystals By Organometallic Complexes To Be Published.
Page generated: Sun Jul 21 07:22:08 2024

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