Chlorine in PDB 8pfw: X-Ray Structure of the Adduct Formed Upon Reaction of Lysozyme with K2[RU2(Danif)(CO3)3] in Condition A

Enzymatic activity of X-Ray Structure of the Adduct Formed Upon Reaction of Lysozyme with K2[RU2(Danif)(CO3)3] in Condition A

All present enzymatic activity of X-Ray Structure of the Adduct Formed Upon Reaction of Lysozyme with K2[RU2(Danif)(CO3)3] in Condition A:
3.2.1.17;

Protein crystallography data

The structure of X-Ray Structure of the Adduct Formed Upon Reaction of Lysozyme with K2[RU2(Danif)(CO3)3] in Condition A, PDB code: 8pfw was solved by A.Teran, G.Ferraro, A.Merlino, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 55.02 / 1.12
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 77.81, 77.81, 37.39, 90, 90, 90
R / Rfree (%) 20.1 / 23.9

Other elements in 8pfw:

The structure of X-Ray Structure of the Adduct Formed Upon Reaction of Lysozyme with K2[RU2(Danif)(CO3)3] in Condition A also contains other interesting chemical elements:

Sodium (Na) 1 atom
Ruthenium (Ru) 6 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the X-Ray Structure of the Adduct Formed Upon Reaction of Lysozyme with K2[RU2(Danif)(CO3)3] in Condition A (pdb code 8pfw). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the X-Ray Structure of the Adduct Formed Upon Reaction of Lysozyme with K2[RU2(Danif)(CO3)3] in Condition A, PDB code: 8pfw:

Chlorine binding site 1 out of 1 in 8pfw

Go back to Chlorine Binding Sites List in 8pfw
Chlorine binding site 1 out of 1 in the X-Ray Structure of the Adduct Formed Upon Reaction of Lysozyme with K2[RU2(Danif)(CO3)3] in Condition A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of the Adduct Formed Upon Reaction of Lysozyme with K2[RU2(Danif)(CO3)3] in Condition A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:33.5
occ:1.00
 NH2 A:ARG21 2.9 30.8 0.5
OH A:TYR23 2.9 13.8 1.0
CE2 A:TYR23 3.6 12.7 1.0
CZ A:TYR23 3.6 12.9 1.0
O A:HOH338 3.6 23.5 1.0
CZ A:ARG21 3.6 28.8 0.5
NH1 A:ARG21 3.7 29.4 0.5
CA A:GLY104 3.9 13.0 1.0
O A:ARG21 4.5 16.6 0.5
O A:ARG21 4.5 17.7 0.5
N A:GLY104 4.5 12.9 1.0
NE A:ARG21 4.8 29.0 0.5
CE1 A:TYR23 4.9 12.7 1.0
CD2 A:TYR23 4.9 12.3 1.0
O A:HOH307 4.9 18.1 1.0

Reference:

S.Herrero Dominguez, A.Teran, G.Ferraro, A.E.Sanchez-Pelaez, A.Merlino. Charge Effect in Protein Metalation Reactions By Diruthenium Complexes Inorg Chem Front 2023.
DOI: 10.1039/D3QI01192E
Page generated: Tue Jul 30 11:33:09 2024

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