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

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

All present enzymatic activity of X-Ray Structure of the Adduct Formed Upon Reaction of Lysozyme with K2[RU2(Danif)(CO3)3] in Condition B:
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 B, PDB code: 8pfy 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) 54.18 / 1.19
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 76.62, 76.62, 37.08, 90, 90, 90
R / Rfree (%) 19.5 / 21.2

Other elements in 8pfy:

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

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

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 B (pdb code 8pfy). 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 B, PDB code: 8pfy:

Chlorine binding site 1 out of 1 in 8pfy

Go back to Chlorine Binding Sites List in 8pfy
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 B


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 B within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:27.9
occ:1.00
 OH A:TYR23 2.7 12.1 1.0
CE2 A:TYR23 3.4 11.2 1.0
CZ A:TYR23 3.5 10.9 1.0
CA A:GLY104 3.5 12.5 1.0
N A:GLY104 4.1 13.6 1.0
O A:HOH349 4.4 21.4 1.0
O A:HOH313 4.6 21.9 1.0
O A:ARG21 4.6 18.3 1.0
C A:GLY104 4.7 10.9 1.0
CE1 A:TYR23 4.7 10.4 1.0
CD2 A:TYR23 4.7 11.2 1.0
C A:ASN103 4.7 13.9 1.0
N A:MET105 4.8 10.4 1.0
O A:ASN103 4.9 12.9 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 11:33:47 2024

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