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Calcium in PDB 6txg: Proteinase K in Complex with A "Half Sandwich"-Type Ru(II) Coordination Compound

Enzymatic activity of Proteinase K in Complex with A "Half Sandwich"-Type Ru(II) Coordination Compound

All present enzymatic activity of Proteinase K in Complex with A "Half Sandwich"-Type Ru(II) Coordination Compound:
3.4.21.64;

Protein crystallography data

The structure of Proteinase K in Complex with A "Half Sandwich"-Type Ru(II) Coordination Compound, PDB code: 6txg was solved by L.Chiniadis, P.Giastas, I.Bratsos, A.Papakyriakou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 57.26 / 1.37
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 67.708, 67.708, 107.314, 90.00, 90.00, 90.00
R / Rfree (%) 15.1 / 16.8

Other elements in 6txg:

The structure of Proteinase K in Complex with A "Half Sandwich"-Type Ru(II) Coordination Compound also contains other interesting chemical elements:

Fluorine (F) 3 atoms
Ruthenium (Ru) 2 atoms
Sodium (Na) 1 atom

Calcium Binding Sites:

The binding sites of Calcium atom in the Proteinase K in Complex with A "Half Sandwich"-Type Ru(II) Coordination Compound (pdb code 6txg). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Proteinase K in Complex with A "Half Sandwich"-Type Ru(II) Coordination Compound, PDB code: 6txg:

Calcium binding site 1 out of 1 in 6txg

Go back to Calcium Binding Sites List in 6txg
Calcium binding site 1 out of 1 in the Proteinase K in Complex with A "Half Sandwich"-Type Ru(II) Coordination Compound


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Proteinase K in Complex with A "Half Sandwich"-Type Ru(II) Coordination Compound within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca306

b:11.2
occ:0.46
 H032 A:NYN307 0.6 17.5 0.5
N1 A:NYN307 0.9 14.6 0.5
H031 A:NYN307 1.0 17.5 0.5
C1 A:NYN307 2.2 18.9 0.5
O A:HOH447 2.3 16.0 0.5
O A:HOH607 2.4 19.9 0.5
OD2 A:ASP200 2.4 9.9 1.0
O A:VAL177 2.4 14.5 1.0
H13 A:NYN307 2.5 22.6 0.5
H12 A:NYN307 2.6 22.6 0.5
O A:PRO175 2.7 17.1 1.0
RU A:NYN307 2.7 15.4 0.5
O A:HOH407 3.0 14.6 1.0
OD1 A:ASP200 3.0 13.0 1.0
CG A:ASP200 3.0 9.5 1.0
S1 A:NYN307 3.2 18.6 0.5
C2 A:NYN307 3.2 20.0 0.5
C A:PRO175 3.6 13.7 1.0
C A:VAL177 3.6 10.1 1.0
N2 A:NYN307 3.7 20.4 0.5
H15 A:NYN307 3.8 24.0 0.5
H14 A:NYN307 3.8 24.0 0.5
H17 A:NYN307 3.8 26.1 0.5
S2 A:NYN307 3.9 18.2 0.5
C3 A:NYN307 3.9 21.7 0.5
H2 A:NYN307 4.1 28.6 0.5
H042 A:NYN307 4.1 24.5 0.5
C4 A:NYN307 4.2 23.9 0.5
N A:VAL177 4.2 10.2 1.0
CA A:PRO175 4.2 14.0 1.0
H041 A:NYN307 4.4 24.5 0.5
O A:VAL198 4.4 13.1 1.0
O A:GLU174 4.4 10.2 1.0
CA A:CYS178 4.4 8.9 1.0
N A:CYS178 4.5 9.0 1.0
C A:SER176 4.5 11.5 1.0
CB A:ASP200 4.5 10.5 1.0
N A:SER176 4.5 10.2 1.0
N A:THR179 4.5 8.2 1.0
CA A:VAL177 4.6 10.3 1.0
CA A:SER176 4.7 11.2 1.0
OG1 A:THR179 4.8 9.0 1.0
O A:HOH560 4.8 22.2 1.0
H16 A:NYN307 4.8 26.1 0.5
C8 A:NYN307 4.9 16.3 0.5
S3 A:NYN307 5.0 16.0 0.5

Reference:

L.Chiniadis, I.Bratsos, K.Bethanis, M.Karpusas, P.Giastas, A.Papakyriakou. High-Resolution Crystal Structures of A "Half Sandwich"-Type Ru(II) Coordination Compound Bound to Hen Egg-White Lysozyme and Proteinase K. J.Biol.Inorg.Chem. 2020.
ISSN: ESSN 1432-1327
PubMed: 32266561
DOI: 10.1007/S00775-020-01786-Z
Page generated: Tue Jul 16 15:34:23 2024

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