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Chlorine in PDB 2xjw: Lysozyme-Co Releasing Molecule Adduct

Enzymatic activity of Lysozyme-Co Releasing Molecule Adduct

All present enzymatic activity of Lysozyme-Co Releasing Molecule Adduct:
3.2.1.17;

Protein crystallography data

The structure of Lysozyme-Co Releasing Molecule Adduct, PDB code: 2xjw was solved by T.Santos-Silva, A.Mukhopadhyay, M.J.Romao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.76 / 1.67
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 78.400, 78.400, 36.970, 90.00, 90.00, 90.00
R / Rfree (%) 16.9 / 20.8

Other elements in 2xjw:

The structure of Lysozyme-Co Releasing Molecule Adduct also contains other interesting chemical elements:

Ruthenium (Ru) 3 atoms
Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Lysozyme-Co Releasing Molecule Adduct (pdb code 2xjw). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Lysozyme-Co Releasing Molecule Adduct, PDB code: 2xjw:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 2xjw

Go back to Chlorine Binding Sites List in 2xjw
Chlorine binding site 1 out of 3 in the Lysozyme-Co Releasing Molecule Adduct


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Lysozyme-Co Releasing Molecule Adduct within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1138

b:24.1
occ:0.50
OH A:TYR23 3.0 17.1 1.0
O A:HOH2032 3.6 22.8 1.0
CZ A:TYR23 3.7 14.6 1.0
CE2 A:TYR23 3.7 13.5 1.0
CA A:GLY104 4.1 16.8 1.0
N A:GLY104 4.7 18.3 1.0
O A:ARG21 4.7 19.4 1.0
O A:HOH2119 4.8 42.6 1.0
CE1 A:TYR23 4.9 13.6 1.0
CD2 A:TYR23 5.0 14.8 1.0

Chlorine binding site 2 out of 3 in 2xjw

Go back to Chlorine Binding Sites List in 2xjw
Chlorine binding site 2 out of 3 in the Lysozyme-Co Releasing Molecule Adduct


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Lysozyme-Co Releasing Molecule Adduct within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1139

b:46.4
occ:1.00
O A:HOH2005 3.5 42.8 1.0
CE2 A:PHE38 3.6 15.5 1.0
NZ A:LYS33 3.9 31.1 1.0
CZ3 A:TRP123 4.0 24.6 1.0
CD A:ARG5 4.1 23.1 1.0
CB A:ARG5 4.1 23.4 1.0
CD A:LYS33 4.3 18.3 1.0
CE A:LYS33 4.3 24.6 1.0
CZ A:PHE38 4.4 17.3 1.0
CD2 A:PHE38 4.6 15.7 1.0
CG A:ARG5 4.6 21.7 1.0
NE A:ARG5 4.7 26.4 1.0
CE3 A:TRP123 4.8 18.3 1.0
CH2 A:TRP123 4.9 22.2 1.0

Chlorine binding site 3 out of 3 in 2xjw

Go back to Chlorine Binding Sites List in 2xjw
Chlorine binding site 3 out of 3 in the Lysozyme-Co Releasing Molecule Adduct


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Lysozyme-Co Releasing Molecule Adduct within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1140

b:26.0
occ:0.50
ND2 A:ASN113 3.4 16.9 1.0
CB A:ASN113 3.7 17.0 1.0
CA A:ALA110 3.8 17.2 1.0
CG1 A:VAL109 4.0 17.4 0.5
CG A:ASN113 4.1 17.9 1.0
O A:VAL109 4.2 20.1 1.0
N A:ALA110 4.2 17.4 1.0
CD A:ARG114 4.3 16.8 1.0
CB A:ALA110 4.3 18.4 1.0
C A:VAL109 4.4 18.6 1.0
CG A:ARG114 4.4 16.8 1.0
O A:HOH2018 4.6 34.2 1.0
CG2 A:VAL109 4.8 19.4 0.5
C A:ALA110 4.9 16.6 1.0
O A:ALA110 4.9 17.2 1.0
CG1 A:VAL109 4.9 19.3 0.5
CA A:ASN113 5.0 17.6 1.0

Reference:

T.Santos-Silva, A.Mukhopadhyay, J.D.Seixas, G.J.Bernardes, C.C.Romao, M.J.Romao. Corm-3 Reactivity Toward Proteins: the Crystal Structure of A Ru(II) Dicarbonyl-Lysozyme Complex. J.Am.Chem.Soc. V. 133 1192 2011.
ISSN: ISSN 0002-7863
PubMed: 21204537
DOI: 10.1021/JA108820S
Page generated: Sat Dec 12 09:26:05 2020

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