Chlorine in PDB 4ylb: Crystal Structure of A102D Mutant of HSP14.1 From Sulfolobus Solfatataricus P2

The structure of Crystal Structure of A102D Mutant of HSP14.1 From Sulfolobus Solfatataricus P2, PDB code: 4ylb was solved by L.Liu, J.Y.Chen, C.H.Yun, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.59 / 2.50
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	132.793, 132.793, 213.058, 90.00, 90.00, 120.00
R / Rfree (%)	19.6 / 24.1

The binding sites of Chlorine atom in the Crystal Structure of A102D Mutant of HSP14.1 From Sulfolobus Solfatataricus P2 (pdb code 4ylb). 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 A102D Mutant of HSP14.1 From Sulfolobus Solfatataricus P2, PDB code: 4ylb:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of A102D Mutant of HSP14.1 From Sulfolobus Solfatataricus P2


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 A102D Mutant of HSP14.1 From Sulfolobus Solfatataricus P2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:82.0 occ:1.00 O A:HOH348 2.7 72.5 1.0 NH2 A:ARG54 3.6 90.5 1.0 CE1 A:HIS85 3.7 56.6 1.0 NE A:ARG54 3.7 86.8 1.0 OD1 A:ASN64 4.0 64.3 1.0 CG2 A:ILE62 4.1 46.2 1.0 CZ A:ARG54 4.2 90.2 1.0 O A:HOH341 4.2 82.3 1.0 CD1 A:ILE62 4.2 77.9 1.0 ND1 A:HIS85 4.4 60.9 1.0 NE2 A:HIS85 4.6 52.9 1.0 CG A:ASN64 4.9 61.8 1.0 CD A:ARG54 4.9 80.0 1.0 ND2 A:ASN64 5.0 61.6 1.0 CB A:ILE62 5.0 57.2 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of A102D Mutant of HSP14.1 From Sulfolobus Solfatataricus P2


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 A102D Mutant of HSP14.1 From Sulfolobus Solfatataricus P2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:87.5 occ:1.00 O B:HOH346 2.6 82.4 1.0 CE1 B:HIS85 3.8 66.3 1.0 ND2 B:ASN64 3.8 71.3 1.0 NH2 B:ARG54 4.2 82.7 0.8 CG2 B:ILE62 4.2 56.9 1.0 CZ B:ARG54 4.4 83.3 0.8 NH1 B:ARG54 4.4 87.0 0.8 ND1 B:HIS85 4.6 65.9 1.0 NE2 B:HIS85 4.7 58.7 1.0 CG B:ASN64 4.8 62.1 1.0 OD1 B:ASN64 4.9 62.7 1.0 NE B:ARG54 5.0 73.5 0.8

Chlorine binding site 3 out of 3 in the Crystal Structure of A102D Mutant of HSP14.1 From Sulfolobus Solfatataricus P2


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 A102D Mutant of HSP14.1 From Sulfolobus Solfatataricus P2 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl201 b:0.7 occ:1.00 NH2 D:ARG54 2.5 0.5 1.0 NH1 D:ARG54 2.9 0.6 1.0 CZ D:ARG54 3.1 99.3 1.0 CE1 D:HIS85 4.3 98.1 1.0 NE D:ARG54 4.5 0.6 1.0 ND2 D:ASN64 4.7 86.8 1.0 O D:HOH308 4.8 71.9 1.0 NE2 D:HIS85 4.9 97.6 1.0 ND1 D:HIS85 5.0 97.2 1.0

L.Liu, J.Y.Chen, B.Yang, F.H.Wang, Y.H.Wang, C.H.Yun. Active-State Structures of A Small Heat-Shock Protein Revealed A Molecular Switch For Chaperone Function Structure V. 23 2066 2015.
ISSN: ISSN 0969-2126
PubMed: 26439766
DOI: 10.1016/J.STR.2015.08.015