Chlorine in PDB 7yd2: SULE_P44R_S209A

The structure of SULE_P44R_S209A, PDB code: 7yd2 was solved by B.Liu, T.Ran, W.Wang, J.He, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.30 / 1.61
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	51.31, 140.26, 58.19, 90, 101.71, 90
R / Rfree (%)	16.5 / 18.1

The structure of SULE_P44R_S209A also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Chlorine atom in the SULE_P44R_S209A (pdb code 7yd2). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the SULE_P44R_S209A, PDB code: 7yd2:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the SULE_P44R_S209A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of SULE_P44R_S209A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl405 b:65.8 occ:1.00 CL A:IJC405 0.0 65.8 1.0 C9 A:IJC405 1.8 39.5 1.0 N2 A:IJC405 2.7 37.3 1.0 C10 A:IJC405 2.8 37.6 1.0 O B:ARG44 2.9 43.3 1.0 O A:ASN141 3.4 30.3 1.0 OD1 B:ASN123 3.6 25.4 1.0 C B:ARG44 3.9 47.5 1.0 N B:ARG44 4.0 48.0 1.0 C8 A:IJC405 4.0 39.9 1.0 C11 A:IJC405 4.0 37.6 1.0 C A:ASN141 4.0 26.9 1.0 CG B:ASN123 4.4 23.2 1.0 N A:ASN141 4.4 22.9 1.0 ND2 B:ASN123 4.5 25.6 1.0 N3 A:IJC405 4.5 34.9 1.0 CA B:ARG44 4.6 51.7 1.0 N A:SER142 4.6 25.5 1.0 CA A:SER142 4.7 25.6 1.0 O B:VAL42 4.7 32.3 1.0 CA B:ILE43 4.8 35.8 1.0 N B:TYR45 4.8 48.7 1.0 C B:ILE43 4.8 44.4 1.0 CA A:ASN141 4.9 21.1 1.0

Chlorine binding site 2 out of 3 in the SULE_P44R_S209A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of SULE_P44R_S209A within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl402 b:63.9 occ:1.00 CL4' B:CIE402 0.0 63.9 1.0 C4' B:CIE402 1.8 32.6 1.0 N3' B:CIE402 2.7 31.3 1.0 C5' B:CIE402 2.8 32.6 1.0 CE1 B:PHE61 3.2 32.8 1.0 CZ B:PHE61 3.6 32.3 1.0 O B:SER22 3.7 16.0 1.0 CA A:GLY91 3.9 18.4 1.0 C2' B:CIE402 3.9 32.4 1.0 N B:SER22 3.9 16.1 1.0 OG A:SER87 4.0 17.4 1.0 O A:GLY91 4.1 23.5 1.0 C6' B:CIE402 4.1 32.2 1.0 O A:HOH561 4.2 29.9 1.0 C B:SER22 4.2 15.3 1.0 CD1 B:PHE23 4.3 19.8 1.0 CA B:GLY21 4.3 21.2 1.0 CD1 B:PHE61 4.3 22.4 1.0 C B:GLY21 4.3 18.9 1.0 O A:HOH636 4.4 20.1 1.0 C A:GLY91 4.4 19.6 1.0 O B:HOH607 4.5 30.7 1.0 CB A:SER87 4.5 16.6 1.0 N1' B:CIE402 4.5 29.5 1.0 CA B:SER22 4.6 14.3 1.0 CB B:PHE23 4.6 17.6 1.0 N14 B:CIE402 4.9 31.7 1.0 CG B:PHE23 4.9 16.5 1.0 CE2 B:PHE61 5.0 27.6 1.0

Chlorine binding site 3 out of 3 in the SULE_P44R_S209A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of SULE_P44R_S209A within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl403 b:74.3 occ:1.00 CL B:IJC403 0.0 74.3 1.0 C9 B:IJC403 1.8 39.9 1.0 N2 B:IJC403 2.7 40.6 1.0 C10 B:IJC403 2.8 38.0 1.0 O A:ARG44 3.0 47.2 1.0 O B:ASN141 3.4 27.7 1.0 OD1 A:ASN123 3.7 25.6 1.0 N A:ARG44 3.9 43.5 1.0 C8 B:IJC403 4.0 37.5 1.0 C A:ARG44 4.0 46.4 1.0 C B:ASN141 4.0 23.6 1.0 C11 B:IJC403 4.0 38.6 1.0 O A:HOH729 4.1 44.1 1.0 CG A:ASN123 4.4 25.2 1.0 N B:ASN141 4.4 21.3 1.0 ND2 A:ASN123 4.5 25.8 1.0 N3 B:IJC403 4.5 37.2 1.0 N B:SER142 4.5 23.2 1.0 CA B:SER142 4.5 25.6 1.0 O A:VAL42 4.6 35.6 1.0 CA A:ARG44 4.6 47.1 1.0 CA A:ILE43 4.7 36.3 1.0 C A:ILE43 4.7 43.9 1.0 CA B:ASN141 4.9 23.3 1.0 CG2 A:ILE43 5.0 36.3 1.0

B.Liu, T.Ran, W.Wang, J.He. Crystal Structure of SULE_P44R To Be Published.