Chlorine in PDB 5mzv: Il-23:Il-23R:NB22E11 Complex

The structure of Il-23:Il-23R:NB22E11 Complex, PDB code: 5mzv was solved by Y.Bloch, S.N.Savvides, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	76.85 / 2.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	67.219, 112.190, 109.870, 90.00, 106.24, 90.00
R / Rfree (%)	21.2 / 25

The structure of Il-23:Il-23R:NB22E11 Complex also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Il-23:Il-23R:NB22E11 Complex (pdb code 5mzv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Il-23:Il-23R:NB22E11 Complex, PDB code: 5mzv:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Il-23:Il-23R:NB22E11 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Il-23:Il-23R:NB22E11 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:57.7 occ:1.00 HG1 A:THR147 2.4 54.1 1.0 HZ1 A:LYS118 2.4 52.8 1.0 H D:SER30 2.4 43.4 1.0 HG21 A:THR147 2.8 56.5 1.0 HA D:PHE29 3.1 40.3 1.0 OG1 A:THR147 3.2 52.2 1.0 NZ A:LYS118 3.2 51.6 1.0 HE3 A:LYS118 3.3 53.8 1.0 N D:SER30 3.3 46.2 1.0 HZ3 D:TRP31 3.3 43.4 1.0 HB3 D:SER30 3.4 44.2 1.0 HE2 A:LYS118 3.6 53.8 1.0 HD22 A:ASN184 3.6 0.8 1.0 CE A:LYS118 3.6 53.4 1.0 HZ2 A:LYS118 3.6 52.8 1.0 OG D:SER30 3.6 46.6 1.0 CG2 A:THR147 3.6 53.0 1.0 HD21 A:ASN184 3.6 0.8 1.0 HD1 D:PHE29 3.6 41.5 1.0 HB3 D:PHE29 3.7 39.6 1.0 ND2 A:ASN184 3.7 74.5 1.0 CZ3 D:TRP31 3.8 45.6 1.0 HG D:SER30 3.8 43.9 1.0 CB A:THR147 3.8 54.1 1.0 HZ3 A:LYS118 3.8 52.8 1.0 HB A:THR147 3.9 56.0 1.0 CA D:PHE29 3.9 47.5 1.0 CB D:SER30 3.9 47.7 1.0 HG23 A:THR147 3.9 56.5 1.0 C D:PHE29 4.1 47.2 1.0 CA D:SER30 4.2 46.0 1.0 CB D:PHE29 4.3 48.1 1.0 HE3 D:TRP31 4.3 42.3 1.0 CE3 D:TRP31 4.4 45.1 1.0 HG22 A:THR147 4.4 56.5 1.0 CG A:ASN184 4.4 76.6 1.0 CD1 D:PHE29 4.5 49.2 1.0 CH2 D:TRP31 4.5 45.8 1.0 HH2 D:TRP31 4.5 43.5 1.0 HD3 A:ARG181 4.7 0.6 1.0 HA D:SER30 4.7 43.2 1.0 HB2 D:SER30 4.8 44.2 1.0 H D:TRP31 4.8 41.0 1.0 O D:THR28 4.9 50.9 1.0 HB2 A:ASN184 4.9 0.4 1.0 CG D:PHE29 4.9 48.5 1.0 HB3 A:ASN184 4.9 0.4 1.0

Chlorine binding site 2 out of 3 in the Il-23:Il-23R:NB22E11 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Il-23:Il-23R:NB22E11 Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl401 b:57.7 occ:1.00 O C:HOH516 3.2 57.7 1.0 HD21 C:ASN147 3.6 57.2 1.0 HA2 C:GLY149 3.7 47.8 1.0 OD2 C:ASP129 3.8 58.8 1.0 OD2 C:ASP126 3.9 54.4 1.0 HB3 C:ASP126 4.1 60.5 1.0 O C:HOH502 4.1 57.7 1.0 ND2 C:ASN147 4.1 55.6 1.0 HD22 C:ASN147 4.2 57.2 1.0 HA3 C:GLY149 4.2 47.8 1.0 CA C:GLY149 4.4 48.8 1.0 CG C:ASP129 4.6 60.2 1.0 CB C:ASP126 4.7 56.1 1.0 CG C:ASP126 4.7 55.0 1.0 HB2 C:ASP126 4.8 60.5 1.0 OD1 C:ASP129 4.9 61.2 1.0 HG3 C:LYS150 5.0 51.3 1.0 O C:ILE127 5.0 50.5 1.0

Chlorine binding site 3 out of 3 in the Il-23:Il-23R:NB22E11 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Il-23:Il-23R:NB22E11 Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl402 b:57.7 occ:1.00 HG C:SER49 2.7 56.3 1.0 OG C:SER49 3.4 59.4 1.0 HE1 C:TRP88 3.5 55.2 1.0 O C:HOH523 3.5 57.7 1.0 HB3 C:ASN47 3.7 65.9 1.0 HB2 C:ASN47 3.8 65.9 1.0 HA C:ILE48 3.8 43.8 1.0 O C:ASN47 3.9 63.2 1.0 HD1 C:TRP88 4.0 54.4 1.0 C C:ASN47 4.1 60.1 1.0 NE1 C:TRP88 4.2 58.0 1.0 CB C:ASN47 4.2 65.2 1.0 H C:SER49 4.3 54.7 1.0 C C:ILE48 4.3 54.5 1.0 CA C:ILE48 4.3 53.4 1.0 N C:ILE48 4.3 54.6 1.0 N C:SER49 4.4 55.4 1.0 CD1 C:TRP88 4.5 57.5 1.0 CB C:SER49 4.6 58.3 1.0 HB2 C:SER49 4.6 55.5 1.0 HD3 C:PRO38 4.6 62.3 1.0 O C:HOH534 4.7 57.7 1.0 O C:ILE48 4.8 56.0 1.0 O C:GLU37 4.8 62.5 1.0 H C:ILE48 4.8 44.9 1.0 CA C:ASN47 4.9 59.4 1.0 HD21 C:ASN47 5.0 69.0 1.0

Y.Bloch, L.Bouchareychas, R.Merceron, K.Skladanowska, L.Van Den Bossche, S.Detry, S.Govindarajan, D.Elewaut, F.Haerynck, M.Dullaers, I.E.Adamopoulos, S.N.Savvides. Structural Activation of Pro-Inflammatory Human Cytokine Il-23 By Cognate Il-23 Receptor Enables Recruitment of the Shared Receptor Il-12R Beta 1. Immunity V. 48 45 2018.
ISSN: ISSN 1097-4180
PubMed: 29287995
DOI: 10.1016/J.IMMUNI.2017.12.008