Chlorine in PDB 6h8t: Crystal Structure of Papain Modify By Achiral Ru(II)Complex

All present enzymatic activity of Crystal Structure of Papain Modify By Achiral Ru(II)Complex:
3.4.22.2;

The structure of Crystal Structure of Papain Modify By Achiral Ru(II)Complex, PDB code: 6h8t was solved by M.V.Cherrier, P.Amara, B.Talbi, M.Salmin, J.C.Fontecilla-Camps, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.42 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	61.030, 74.850, 86.250, 90.00, 90.00, 90.00
R / Rfree (%)	19.2 / 24.9

The structure of Crystal Structure of Papain Modify By Achiral Ru(II)Complex also contains other interesting chemical elements:

Ruthenium	(Ru)	2 atoms
Sodium	(Na)	1 atom

The binding sites of Chlorine atom in the Crystal Structure of Papain Modify By Achiral Ru(II)Complex (pdb code 6h8t). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Papain Modify By Achiral Ru(II)Complex, PDB code: 6h8t:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Papain Modify By Achiral Ru(II)Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Papain Modify By Achiral Ru(II)Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:24.4 occ:1.00 NZ A:LYS190 2.6 24.6 1.0 CE A:LYS190 3.3 26.6 1.0 CD A:LYS190 3.4 25.2 1.0 CG A:ASN169 3.6 26.5 1.0 OD1 A:ASN169 3.7 22.4 1.0 CB A:ASN169 3.7 15.8 1.0 ND2 A:ASN169 4.3 16.8 1.0 O A:HOH418 4.7 38.9 1.0 O A:ASN169 4.8 14.8 1.0 CG A:LYS190 4.9 15.2 1.0 CA A:ASN169 5.0 15.3 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Papain Modify By Achiral Ru(II)Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Papain Modify By Achiral Ru(II)Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:46.5 occ:0.75 CL A:YXZ305 0.0 46.5 0.8 RU A:YXZ305 2.4 32.8 0.8 NAV A:YXZ305 3.5 39.7 1.0 CD1 A:OMX61 3.6 23.1 0.2 CAK A:YXZ305 3.7 35.1 1.0 CD1 A:OMX61 3.7 23.9 0.8 CG A:OMX61 3.8 20.3 0.2 CG A:OMX61 3.8 21.6 0.8 CE1 A:OMX61 4.0 22.4 0.2 CE1 A:OMX61 4.1 22.7 0.8 CB A:OMX61 4.2 16.5 0.8 CB A:OMX61 4.2 17.5 0.2 CD2 A:OMX61 4.4 18.1 0.2 CD2 A:OMX61 4.4 17.4 0.8 OC A:OMX61 4.4 21.1 0.8 CZ A:OMX61 4.5 20.9 0.2 CBB A:YXZ305 4.6 39.7 1.0 CZ A:OMX61 4.6 21.5 0.8 CE2 A:OMX61 4.7 18.0 0.2 CE2 A:OMX61 4.7 17.4 0.8 NAU A:YXZ305 4.8 50.3 1.0 CAG A:YXZ305 5.0 36.7 1.0 CB A:ASN64 5.0 22.9 1.0 NBF A:YXZ305 5.0 46.1 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Papain Modify By Achiral Ru(II)Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Papain Modify By Achiral Ru(II)Complex within 5.0Å range: probe atom residue distance (Å) B Occ J:Cl301 b:56.2 occ:0.80 CL J:YXX301 0.0 56.2 0.8 RU J:YXX301 2.4 33.6 0.8 CG J:TYR61 3.7 18.2 1.0 CB J:TYR61 3.8 24.9 1.0 CD1 J:TYR61 3.9 24.9 1.0 NAV J:YXX301 3.9 38.1 1.0 CB J:ASN64 4.0 20.1 1.0 CD2 J:TYR61 4.2 18.7 1.0 CG J:ASN64 4.4 30.6 1.0 CAK J:YXX301 4.4 32.7 1.0 CE1 J:TYR61 4.5 20.3 1.0 NAU J:YXX301 4.6 49.8 1.0 OD1 J:ASN64 4.8 29.0 1.0 CAR J:YXX301 4.8 39.5 1.0 CE2 J:TYR61 4.8 16.6 1.0 CBB J:YXX301 4.8 40.9 1.0 CZ J:TYR61 4.9 25.9 1.0 NBF J:YXX301 5.0 44.7 1.0

M.V.Cherrier, P.Amara, B.Talbi, M.Salmain, J.C.Fontecilla-Camps. Crystallographic Evidence For Unexpected Selective Tyrosine Hydroxylations in An Aerated Achiral Ru-Papain Conjugate. Metallomics V. 10 1452 2018.
ISSN: ESSN 1756-591X
PubMed: 30175357
DOI: 10.1039/C8MT00160J