Nickel in PDB 3tgx: Il-21:IL21R Complex

The structure of Il-21:IL21R Complex, PDB code: 3tgx was solved by O.J.Hamming, L.Kang, A.Svenson, J.L.Karlsen, H.Rahbek-Nielsen, S.R.Paludan, S.A.Hjort, K.Bondensgaard, R.Hartmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	80.22 / 2.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	82.230, 151.120, 364.820, 90.00, 90.00, 90.00
R / Rfree (%)	24.2 / 27.3

The binding sites of Nickel atom in the Il-21:IL21R Complex (pdb code 3tgx). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 4 binding sites of Nickel where determined in the Il-21:IL21R Complex, PDB code: 3tgx:
Jump to Nickel binding site number: 1; 2; 3; 4;

Nickel binding site 1 out of 4 in the Il-21:IL21R Complex


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Il-21:IL21R Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni302 b:65.5 occ:1.00 N A:HIS63 3.7 23.3 1.0 CD2 A:HIS63 4.0 35.6 1.0 CB A:HIS63 4.2 21.7 1.0 CA A:CYS62 4.4 22.7 1.0 CG A:HIS63 4.4 27.5 1.0 CA A:HIS63 4.5 19.4 1.0 C A:CYS62 4.5 25.3 1.0 O A:HIS63 4.6 45.3 1.0 CB A:CYS62 5.0 13.8 1.0

Nickel binding site 2 out of 4 in the Il-21:IL21R Complex


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 2 of Il-21:IL21R Complex within 5.0Å range: probe atom residue distance (Å) B Occ E:Ni305 b:64.9 occ:1.00 CD2 E:HIS63 3.6 51.8 1.0 N E:HIS63 3.6 47.3 1.0 CD2 M:HIS63 3.8 63.5 1.0 N M:HIS63 3.9 48.5 1.0 CB E:HIS63 4.0 25.9 1.0 CG E:HIS63 4.2 44.1 1.0 CA E:CYS62 4.3 36.8 1.0 CA M:CYS62 4.3 53.6 1.0 C E:CYS62 4.4 49.5 1.0 CB M:HIS63 4.4 37.0 1.0 CA E:HIS63 4.4 33.0 1.0 CG M:HIS63 4.4 50.2 1.0 C M:CYS62 4.5 54.6 1.0 CA M:HIS63 4.7 39.0 1.0 O E:HIS63 4.8 49.2 1.0 NE2 E:HIS63 4.8 53.1 1.0 NE2 M:HIS63 4.9 58.3 1.0 CB M:CYS62 5.0 50.3 1.0 CB E:CYS62 5.0 35.4 1.0

Nickel binding site 3 out of 4 in the Il-21:IL21R Complex


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 3 of Il-21:IL21R Complex within 5.0Å range: probe atom residue distance (Å) B Occ G:Ni302 b:0.4 occ:1.00 N G:HIS63 3.8 21.6 1.0 CD2 G:HIS63 4.0 41.7 1.0 CA G:CYS62 4.4 33.6 1.0 CB G:HIS63 4.4 21.8 1.0 C G:CYS62 4.5 19.7 1.0 CG G:HIS63 4.6 32.7 1.0 CA G:HIS63 4.6 27.6 1.0 O G:HIS63 4.7 26.4 1.0 CB G:CYS62 4.9 9.2 1.0

Nickel binding site 4 out of 4 in the Il-21:IL21R Complex


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 4 of Il-21:IL21R Complex within 5.0Å range: probe atom residue distance (Å) B Occ O:Ni308 b:76.3 occ:1.00 N O:HIS63 3.1 56.8 1.0 CB O:HIS63 3.6 53.6 1.0 CD2 O:HIS63 3.6 69.3 1.0 CA O:HIS63 3.8 46.4 1.0 O O:HIS63 3.9 46.5 1.0 CG O:HIS63 3.9 60.9 1.0 C O:CYS62 4.0 69.3 1.0 CA O:CYS62 4.1 56.7 1.0 C O:HIS63 4.3 44.0 1.0 CB O:CYS62 4.6 29.0 1.0 SG O:CYS46 4.6 79.8 1.0 NE2 O:HIS63 4.9 67.9 1.0

O.J.Hamming, L.Kang, A.Svensson, J.L.Karlsen, H.Rahbek-Nielsen, S.R.Paludan, S.A.Hjorth, K.Bondensgaard, R.Hartmann. The Crystal Structure of the Interleukin 21 Receptor Bound to Interleukin 21 Reveals That A Sugar Chain Interacting with the Wsxws Motif Is An Integral Part of the Interleukin 21 Receptor. J.Biol.Chem. 2012.
ISSN: ESSN 1083-351X
PubMed: 22235133
DOI: 10.1074/JBC.M111.311084