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Iodine in PDB 5tzn: Structure of the Viral Immunoevasin M12 (Smith) Bound to the Natural Killer Cell Receptor Nkr-P1B (B6)

Protein crystallography data

The structure of Structure of the Viral Immunoevasin M12 (Smith) Bound to the Natural Killer Cell Receptor Nkr-P1B (B6), PDB code: 5tzn was solved by R.Berry, J.Rossjohn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.80 / 2.60
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 165.276, 61.912, 66.159, 90.00, 101.92, 90.00
R / Rfree (%) 20.5 / 25.2

Iodine Binding Sites:

The binding sites of Iodine atom in the Structure of the Viral Immunoevasin M12 (Smith) Bound to the Natural Killer Cell Receptor Nkr-P1B (B6) (pdb code 5tzn). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 2 binding sites of Iodine where determined in the Structure of the Viral Immunoevasin M12 (Smith) Bound to the Natural Killer Cell Receptor Nkr-P1B (B6), PDB code: 5tzn:
Jump to Iodine binding site number: 1; 2;

Iodine binding site 1 out of 2 in 5tzn

Go back to Iodine Binding Sites List in 5tzn
Iodine binding site 1 out of 2 in the Structure of the Viral Immunoevasin M12 (Smith) Bound to the Natural Killer Cell Receptor Nkr-P1B (B6)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Structure of the Viral Immunoevasin M12 (Smith) Bound to the Natural Killer Cell Receptor Nkr-P1B (B6) within 5.0Å range:
probe atom residue distance (Å) B Occ
F:I301

b:70.2
occ:1.00
N A:SER188 3.6 16.4 1.0
OG A:SER188 3.6 17.4 1.0
OG F:SER47 3.7 34.6 1.0
N A:CYS202 3.9 23.4 1.0
NE F:ARG50 3.9 35.9 1.0
CB A:SER188 4.0 16.8 1.0
CA A:GLY187 4.1 17.6 1.0
N F:ARG49 4.1 22.7 1.0
NH2 F:ARG50 4.2 16.3 1.0
N F:GLU48 4.2 26.8 1.0
CA A:GLY201 4.2 20.7 1.0
SG A:CYS202 4.2 30.9 1.0
C A:GLY187 4.3 20.2 1.0
CA A:SER188 4.4 17.0 1.0
CB F:ARG49 4.4 20.3 1.0
CB A:CYS202 4.4 25.8 1.0
CZ F:ARG50 4.4 38.9 1.0
CA F:SER47 4.5 27.7 1.0
CB F:SER47 4.5 30.1 1.0
C A:GLY201 4.6 23.8 1.0
CA F:ARG49 4.7 22.3 1.0
N F:ARG50 4.8 21.2 1.0
CA A:CYS202 4.8 24.4 1.0
CG F:ARG50 4.8 24.4 1.0
CD F:ARG50 4.8 29.5 1.0
CG F:ARG49 4.8 24.4 1.0
C F:SER47 4.8 31.7 1.0
O F:HOH408 4.9 18.6 1.0
CG F:GLU48 4.9 43.4 1.0
C F:ARG49 4.9 24.6 1.0

Iodine binding site 2 out of 2 in 5tzn

Go back to Iodine Binding Sites List in 5tzn
Iodine binding site 2 out of 2 in the Structure of the Viral Immunoevasin M12 (Smith) Bound to the Natural Killer Cell Receptor Nkr-P1B (B6)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Structure of the Viral Immunoevasin M12 (Smith) Bound to the Natural Killer Cell Receptor Nkr-P1B (B6) within 5.0Å range:
probe atom residue distance (Å) B Occ
G:I501

b:79.9
occ:1.00
N W:SER188 3.6 24.8 1.0
OG W:SER188 3.6 32.0 1.0
N W:CYS202 3.8 28.9 1.0
OG G:SER47 3.8 49.4 1.0
CB W:SER188 4.0 26.5 1.0
NE G:ARG50 4.0 31.2 1.0
CA W:GLY201 4.1 24.4 1.0
CA W:GLY187 4.1 26.8 1.0
NH2 G:ARG50 4.2 33.7 1.0
N G:GLU48 4.2 36.9 1.0
N G:ARG49 4.2 32.0 1.0
SG W:CYS202 4.3 35.1 1.0
C W:GLY187 4.3 29.0 1.0
CA W:SER188 4.4 24.5 1.0
CB W:CYS202 4.4 31.1 1.0
CA G:SER47 4.4 37.3 1.0
C W:GLY201 4.5 29.7 1.0
CB G:ARG49 4.5 28.2 1.0
CZ G:ARG50 4.5 40.3 1.0
CB G:SER47 4.6 40.2 1.0
CA W:CYS202 4.7 29.7 1.0
C G:SER47 4.8 40.7 1.0
CA G:ARG49 4.8 30.9 1.0
CG G:ARG49 4.9 28.6 1.0
CG G:GLU48 4.9 53.0 1.0
O W:GLU200 4.9 27.9 1.0
N G:ARG50 5.0 26.7 1.0
CG G:ARG50 5.0 20.3 1.0

Reference:

O.A.Aguilar, R.Berry, M.M.Rahim, J.J.Reichel, B.Popovic, M.Tanaka, Z.Fu, G.R.Balaji, T.N.Lau, M.M.Tu, C.L.Kirkham, A.B.Mahmoud, A.Mesci, A.Krmpotic, D.S.Allan, A.P.Makrigiannis, S.Jonjic, J.Rossjohn, J.R.Carlyle. A Viral Immunoevasin Controls Innate Immunity By Targeting the Prototypical Natural Killer Cell Receptor Family. Cell V. 169 58 2017.
ISSN: ISSN 1097-4172
PubMed: 28340350
DOI: 10.1016/J.CELL.2017.03.002
Page generated: Sun Dec 13 19:41:15 2020

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