Chlorine in PDB 7bcu: The Adduct of Nami-A with Hen Egg White Lysozyme at 1.5 Hours.

All present enzymatic activity of The Adduct of Nami-A with Hen Egg White Lysozyme at 1.5 Hours.:
3.2.1.17;

The structure of The Adduct of Nami-A with Hen Egg White Lysozyme at 1.5 Hours., PDB code: 7bcu 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)	31.02 / 0.98
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	77.419, 77.419, 37.643, 90, 90, 90
R / Rfree (%)	12.7 / 14.4

The structure of The Adduct of Nami-A with Hen Egg White Lysozyme at 1.5 Hours. also contains other interesting chemical elements:

Sodium	(Na)	5 atoms
Ruthenium	(Ru)	3 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 21;

Binding sites:

The binding sites of Chlorine atom in the The Adduct of Nami-A with Hen Egg White Lysozyme at 1.5 Hours. (pdb code 7bcu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 21 binding sites of Chlorine where determined in the The Adduct of Nami-A with Hen Egg White Lysozyme at 1.5 Hours., PDB code: 7bcu:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 21 in the The Adduct of Nami-A with Hen Egg White Lysozyme at 1.5 Hours.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Adduct of Nami-A with Hen Egg White Lysozyme at 1.5 Hours. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:9.1 occ:0.73 RU A:RU207 2.3 8.2 0.7 N1 A:IMD201 3.2 8.1 0.7 S A:DMS202 3.3 9.9 0.7 C5 A:IMD201 3.3 8.7 0.7 CL A:CL206 3.3 9.5 0.7 CL A:CL204 3.3 7.8 0.7 C2 A:DMS202 3.4 10.7 0.7 C1 A:DMS202 3.6 10.9 0.7 C4 A:IMD208 3.6 8.0 0.7 C5 A:IMD208 4.1 7.8 0.7 C2 A:IMD201 4.3 8.0 0.7 C4 A:IMD201 4.5 8.9 0.7 O A:DMS202 4.7 10.6 0.7 CL A:CL205 4.7 8.6 0.7 N3 A:IMD208 4.8 8.0 0.7

Chlorine binding site 2 out of 21 in the The Adduct of Nami-A with Hen Egg White Lysozyme at 1.5 Hours.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Adduct of Nami-A with Hen Egg White Lysozyme at 1.5 Hours. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:7.8 occ:0.73 RU A:RU207 2.3 8.2 0.7 N1 A:IMD201 3.1 8.1 0.7 C2 A:IMD201 3.3 8.0 0.7 S A:DMS202 3.3 9.9 0.7 CL A:CL203 3.3 9.1 0.7 CL A:CL205 3.3 8.6 0.7 C2 A:DMS202 3.4 10.7 0.7 N A:ARG5 3.5 8.7 1.0 C4 A:IMD208 3.6 8.0 0.7 CB A:ARG5 3.9 9.8 1.0 CL A:CL220 3.9 9.7 0.8 O A:DMS202 3.9 10.6 0.7 N3 A:IMD208 4.0 8.0 0.7 C5 A:IMD215 4.0 9.0 0.8 CA A:GLY4 4.0 8.8 1.0 CE2 A:PHE38 4.1 6.9 1.0 C A:GLY4 4.2 8.3 1.0 C5 A:IMD201 4.2 8.7 0.7 CA A:ARG5 4.2 9.0 1.0 CD2 A:PHE38 4.3 6.6 1.0 O A:PHE3 4.4 7.5 1.0 N3 A:IMD201 4.4 8.7 0.7 C4 A:IMD215 4.5 9.8 0.8 CL A:CL206 4.7 9.5 0.7 C5 A:IMD208 4.8 7.8 0.7 N1 A:IMD215 4.8 8.8 0.8 C4 A:IMD201 4.9 8.9 0.7 C1 A:DMS202 4.9 10.9 0.7

Chlorine binding site 3 out of 21 in the The Adduct of Nami-A with Hen Egg White Lysozyme at 1.5 Hours.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Adduct of Nami-A with Hen Egg White Lysozyme at 1.5 Hours. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:8.6 occ:0.73 RU A:RU207 2.4 8.2 0.7 N1 A:IMD201 3.2 8.1 0.7 O A:DMS202 3.2 10.6 0.7 CL A:CL206 3.3 9.5 0.7 NZ A:LYS33 3.3 10.3 1.0 CL A:CL204 3.3 7.8 0.7 S A:DMS202 3.4 9.9 0.7 C2 A:IMD201 3.4 8.0 0.7 O A:HOH450 3.6 27.6 1.0 CE2 A:PHE38 3.6 6.9 1.0 O A:HOH364 3.7 28.3 1.0 CE A:LYS33 3.8 9.8 1.0 CD A:LYS33 3.9 8.7 1.0 CD A:ARG5 4.2 10.6 1.0 CZ A:PHE38 4.2 6.4 1.0 CZ3 A:TRP123 4.2 11.0 1.0 CB A:ARG5 4.3 9.8 1.0 C5 A:IMD201 4.4 8.7 0.7 CD2 A:PHE38 4.5 6.6 1.0 CG A:ARG5 4.6 10.2 1.0 C1 A:DMS202 4.6 10.9 0.7 N3 A:IMD201 4.7 8.7 0.7 CL A:CL203 4.7 9.1 0.7 NE A:ARG5 4.7 10.7 1.0 C2 A:DMS202 4.8 10.7 0.7 CE3 A:TRP123 4.9 9.7 1.0

Chlorine binding site 4 out of 21 in the The Adduct of Nami-A with Hen Egg White Lysozyme at 1.5 Hours.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The Adduct of Nami-A with Hen Egg White Lysozyme at 1.5 Hours. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl206 b:9.5 occ:0.73 RU A:RU207 2.4 8.2 0.7 N1 A:IMD201 3.2 8.1 0.7 CL A:CL205 3.3 8.6 0.7 C1 A:DMS202 3.3 10.9 0.7 CL A:CL203 3.3 9.1 0.7 O A:HOH450 3.4 27.6 1.0 S A:DMS202 3.4 9.9 0.7 O A:HOH357 3.4 33.5 1.0 C5 A:IMD201 3.5 8.7 0.7 NZ A:LYS33 3.5 10.3 1.0 O A:HOH480 4.0 37.1 1.0 O A:DMS202 4.2 10.6 0.7 C2 A:IMD201 4.3 8.0 0.7 CE A:LYS33 4.6 9.8 1.0 O A:HOH414 4.6 30.5 1.0 O A:HOH364 4.6 28.3 1.0 CL A:CL204 4.7 7.8 0.7 C4 A:IMD201 4.8 8.9 0.7 C2 A:DMS202 4.9 10.7 0.7 O A:HOH439 5.0 37.0 1.0

Chlorine binding site 5 out of 21 in the The Adduct of Nami-A with Hen Egg White Lysozyme at 1.5 Hours.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of The Adduct of Nami-A with Hen Egg White Lysozyme at 1.5 Hours. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl210 b:10.1 occ:0.73 RU A:RU214 2.4 7.6 0.7 N1 A:IMD208 3.1 7.6 0.7 CL A:CL213 3.3 9.7 0.7 O A:HOH384 3.3 18.2 1.0 C1 A:DMS209 3.3 9.5 0.7 S A:DMS209 3.3 8.3 0.7 C2 A:IMD208 3.4 7.2 0.7 CL A:CL211 3.4 9.5 0.7 CB A:VAL2 3.8 8.3 1.0 O A:DMS209 4.1 9.1 0.7 O A:VAL2 4.2 7.5 1.0 CG2 A:VAL2 4.2 9.0 1.0 C5 A:IMD208 4.3 7.8 0.7 CG1 A:VAL2 4.5 9.3 1.0 N3 A:IMD208 4.6 8.0 0.7 CA A:VAL2 4.7 7.4 1.0 CL A:CL212 4.7 8.3 0.7 N A:VAL2 4.8 8.0 1.0 C2 A:DMS209 4.9 9.0 0.7 C A:VAL2 4.9 7.0 1.0

Chlorine binding site 6 out of 21 in the The Adduct of Nami-A with Hen Egg White Lysozyme at 1.5 Hours.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of The Adduct of Nami-A with Hen Egg White Lysozyme at 1.5 Hours. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl211 b:9.5 occ:0.73 RU A:RU214 2.4 7.6 0.7 N1 A:IMD208 3.1 7.6 0.7 S A:DMS209 3.3 8.3 0.7 C2 A:IMD208 3.3 7.2 0.7 CL A:CL210 3.4 10.1 0.7 CL A:CL212 3.4 8.3 0.7 O A:HOH382 3.4 27.7 1.0 C2 A:DMS209 3.4 9.0 0.7 O A:HOH466 3.6 39.0 1.0 C1 A:DMS209 3.6 9.5 0.7 N3 A:IMD215 3.7 10.4 0.8 O A:HOH344 3.8 25.2 1.0 C4 A:IMD215 3.9 9.8 0.8 O A:VAL2 4.2 7.5 1.0 C5 A:IMD208 4.2 7.8 0.7 N3 A:IMD208 4.5 8.0 0.7 O A:HOH384 4.6 18.2 1.0 O A:DMS209 4.7 9.1 0.7 CL A:CL213 4.8 9.7 0.7 C4 A:IMD208 5.0 8.0 0.7

Chlorine binding site 7 out of 21 in the The Adduct of Nami-A with Hen Egg White Lysozyme at 1.5 Hours.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of The Adduct of Nami-A with Hen Egg White Lysozyme at 1.5 Hours. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl212 b:8.3 occ:0.73 RU A:RU214 2.4 7.6 0.7 N1 A:IMD208 3.1 7.6 0.7 C5 A:IMD208 3.3 7.8 0.7 CL A:CL213 3.3 9.7 0.7 S A:DMS209 3.3 8.3 0.7 C2 A:DMS209 3.4 9.0 0.7 CL A:CL211 3.4 9.5 0.7 O A:DMS209 3.9 9.1 0.7 C4 A:IMD215 4.3 9.8 0.8 C2 A:IMD208 4.3 7.2 0.7 C4 A:IMD208 4.5 8.0 0.7 CL A:CL210 4.7 10.1 0.7 N3 A:IMD215 4.9 10.4 0.8 C1 A:DMS209 4.9 9.5 0.7 N3 A:IMD208 5.0 8.0 0.7

Chlorine binding site 8 out of 21 in the The Adduct of Nami-A with Hen Egg White Lysozyme at 1.5 Hours.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of The Adduct of Nami-A with Hen Egg White Lysozyme at 1.5 Hours. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl213 b:9.7 occ:0.73 RU A:RU214 2.4 7.6 0.7 N1 A:IMD208 3.2 7.6 0.7 O A:DMS209 3.3 9.1 0.7 CL A:CL212 3.3 8.3 0.7 CL A:CL210 3.3 10.1 0.7 S A:DMS209 3.4 8.3 0.7 C5 A:IMD208 3.5 7.8 0.7 C2 A:IMD208 4.3 7.2 0.7 C1 A:DMS209 4.7 9.5 0.7 C4 A:IMD208 4.7 8.0 0.7 CL A:CL211 4.8 9.5 0.7 C2 A:DMS209 4.8 9.0 0.7

Chlorine binding site 9 out of 21 in the The Adduct of Nami-A with Hen Egg White Lysozyme at 1.5 Hours.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of The Adduct of Nami-A with Hen Egg White Lysozyme at 1.5 Hours. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl217 b:9.9 occ:0.75 RU A:RU221 2.4 8.1 0.8 N1 A:IMD215 3.1 8.8 0.8 NA A:NA225 3.3 39.9 0.9 S A:DMS216 3.3 9.0 0.8 C5 A:IMD215 3.3 9.0 0.8 CL A:CL220 3.4 9.7 0.8 CL A:CL218 3.4 9.7 0.8 C2 A:DMS216 3.4 9.9 0.8 C1 A:DMS216 3.6 10.2 0.8 C2 A:DMS202 3.8 10.7 0.7 C2 A:IMD215 4.3 9.8 0.8 C4 A:IMD215 4.6 9.8 0.8 O A:DMS216 4.7 9.6 0.8 CL A:CL219 4.7 8.2 0.8

Chlorine binding site 10 out of 21 in the The Adduct of Nami-A with Hen Egg White Lysozyme at 1.5 Hours.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of The Adduct of Nami-A with Hen Egg White Lysozyme at 1.5 Hours. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl218 b:9.7 occ:0.75 RU A:RU221 2.4 8.1 0.8 N1 A:IMD215 3.2 8.8 0.8 S A:DMS216 3.3 9.0 0.8 C2 A:IMD215 3.4 9.8 0.8 CL A:CL219 3.4 8.2 0.8 C2 A:DMS216 3.4 9.9 0.8 CL A:CL217 3.4 9.9 0.8 O A:HOH304 3.8 29.5 1.0 O A:HOH491 3.9 32.0 1.0 O A:DMS216 3.9 9.6 0.8 C5 A:IMD215 4.3 9.0 0.8 N3 A:IMD215 4.5 10.4 0.8 CL A:CL220 4.7 9.7 0.8 C1 A:DMS216 4.9 10.2 0.8

L.Chiniadis, P.Giastas, I.Bratsos, A.Papakyriakou. Insights Into the Protein Ruthenation Mechanism By Antimetastatic Metallodrugs: High-Resolution X-Ray Structures of the Adduct Formed Between Hen Egg-White Lysozyme and Nami-A at Various Time Points. Inorg.Chem. V. 60 10729 2021.
ISSN: ISSN 0020-1669
PubMed: 34197115
DOI: 10.1021/ACS.INORGCHEM.1C01441