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

Protein crystallography data

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

Other elements in 5mzv:

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

Sodium (Na) 1 atom

Chlorine Binding Sites:

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 5mzv

Go back to Chlorine Binding Sites List in 5mzv
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 5mzv

Go back to Chlorine Binding Sites List in 5mzv
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 5mzv

Go back to Chlorine Binding Sites List in 5mzv
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

Reference:

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
Page generated: Sat Dec 12 12:08:11 2020

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