Chlorine in PDB 6b2x: Apo Yiua Crystal Form 1

The structure of Apo Yiua Crystal Form 1, PDB code: 6b2x was solved by C.D.Radka, L.J.Delucas, S.G.Aller, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.47 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	40.515, 94.732, 171.564, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 24.6

The structure of Apo Yiua Crystal Form 1 also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Chlorine atom in the Apo Yiua Crystal Form 1 (pdb code 6b2x). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Apo Yiua Crystal Form 1, PDB code: 6b2x:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Apo Yiua Crystal Form 1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Apo Yiua Crystal Form 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:72.8 occ:1.00 O A:HOH607 2.4 48.9 1.0 OH A:TYR296 2.7 52.7 1.0 CZ A:TYR296 3.7 47.0 1.0 NH1 A:ARG26 4.3 30.9 1.0 CE1 A:TYR296 4.3 39.6 1.0 NH2 A:ARG26 4.3 38.0 1.0 CE2 A:TYR296 4.5 41.8 1.0 NE2 A:HIS293 4.7 37.4 1.0 CZ A:ARG26 4.8 35.9 1.0

Chlorine binding site 2 out of 2 in the Apo Yiua Crystal Form 1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Apo Yiua Crystal Form 1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:62.6 occ:1.00 OH B:TYR296 2.5 61.6 1.0 NH1 B:ARG185 2.7 51.3 1.0 O B:HOH580 3.0 45.9 1.0 CZ B:TYR296 3.2 50.3 1.0 NE2 B:HIS293 3.4 32.8 1.0 NH2 B:ARG26 3.6 51.8 1.0 CE1 B:TYR296 3.6 45.0 1.0 CD2 B:HIS293 3.7 29.3 1.0 NH1 B:ARG26 3.8 43.1 1.0 CZ B:ARG185 3.8 51.9 1.0 CD B:ARG185 4.0 47.7 1.0 CZ B:ARG26 4.1 46.5 1.0 CE2 B:TYR296 4.1 42.5 1.0 NE B:ARG185 4.3 44.5 1.0 CE1 B:HIS293 4.6 33.4 1.0 CG B:ARG185 4.8 43.2 1.0 NH2 B:ARG185 4.8 42.2 1.0 CD1 B:TYR296 4.8 36.6 1.0 O B:HOH685 4.9 41.0 1.0 CG B:HIS293 5.0 28.1 1.0

C.D.Radka, D.Chen, L.J.Delucas, S.G.Aller. The Crystal Structure of the Yersinia Pestis Iron Chaperone Yiua Reveals A Basic Triad Binding Motif For the Chelated Metal. Acta Crystallogr D Struct V. 73 921 2017BIOL.
ISSN: ISSN 2059-7983
PubMed: 29095164
DOI: 10.1107/S2059798317015236