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Nickel in PDB 6tl7: Crystal Structure of Lectin-Like Ox-Ldl Receptor 1 (P212121)

Protein crystallography data

The structure of Crystal Structure of Lectin-Like Ox-Ldl Receptor 1 (P212121), PDB code: 6tl7 was solved by H.Nar, D.Fiegen, G.Schnapp, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.32 / 1.11
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 40.490, 64.700, 101.850, 90.00, 90.00, 90.00
R / Rfree (%) 13.2 / 16.2

Nickel Binding Sites:

The binding sites of Nickel atom in the Crystal Structure of Lectin-Like Ox-Ldl Receptor 1 (P212121) (pdb code 6tl7). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 2 binding sites of Nickel where determined in the Crystal Structure of Lectin-Like Ox-Ldl Receptor 1 (P212121), PDB code: 6tl7:
Jump to Nickel binding site number: 1; 2;

Nickel binding site 1 out of 2 in 6tl7

Go back to Nickel Binding Sites List in 6tl7
Nickel binding site 1 out of 2 in the Crystal Structure of Lectin-Like Ox-Ldl Receptor 1 (P212121)


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Crystal Structure of Lectin-Like Ox-Ldl Receptor 1 (P212121) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ni301

b:14.1
occ:0.60
N A:SER140 1.9 20.6 1.0
ND1 A:HIS141 2.0 15.8 1.0
N A:HIS141 2.0 14.6 1.0
C A:SER140 2.8 16.8 1.0
CA A:SER140 2.8 19.1 1.0
CG A:HIS141 2.9 14.5 1.0
CE1 A:HIS141 3.0 17.5 1.0
O A:HOH461 3.0 27.6 1.0
CA A:HIS141 3.1 13.7 1.0
CB A:HIS141 3.2 14.5 1.0
OG A:SER140 3.7 21.8 1.0
N A:MET142 3.8 13.3 0.3
CB A:SER140 3.8 19.8 1.0
N A:MET142 3.8 12.2 0.7
C A:HIS141 3.9 12.7 1.0
O A:SER140 4.0 20.1 1.0
CD2 A:HIS141 4.0 16.7 1.0
NE2 A:HIS141 4.0 19.0 1.0
CE1 B:HIS141 5.0 17.6 1.0

Nickel binding site 2 out of 2 in 6tl7

Go back to Nickel Binding Sites List in 6tl7
Nickel binding site 2 out of 2 in the Crystal Structure of Lectin-Like Ox-Ldl Receptor 1 (P212121)


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 2 of Crystal Structure of Lectin-Like Ox-Ldl Receptor 1 (P212121) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ni301

b:16.5
occ:0.60
N B:SER140 1.9 31.9 1.0
N B:HIS141 2.0 22.2 1.0
ND1 B:HIS141 2.0 18.2 1.0
C B:SER140 2.8 26.3 1.0
CA B:SER140 2.9 30.1 1.0
CG B:HIS141 3.0 19.7 1.0
CA B:HIS141 3.0 15.9 1.0
CE1 B:HIS141 3.0 17.6 1.0
O B:HOH524 3.0 39.2 0.8
CB B:HIS141 3.3 20.3 1.0
N B:MET142 3.6 12.4 1.0
C B:HIS141 3.6 15.1 1.0
CE B:MET142 3.9 18.4 1.0
OG B:SER140 4.0 35.6 1.0
CB B:SER140 4.0 33.4 1.0
O B:SER140 4.0 26.9 1.0
O A:SER140 4.0 20.1 1.0
NE2 B:HIS141 4.1 19.0 1.0
CD2 B:HIS141 4.1 21.5 1.0
SD B:MET142 4.2 15.7 1.0
O B:HIS141 4.6 15.7 1.0
OG A:SER140 4.9 21.8 1.0
C A:SER140 4.9 16.8 1.0
CA B:MET142 4.9 11.5 1.0

Reference:

H.Nar, D.Fiegen, G.Schnapp. A Small-Molecule Inhibitor of Lectin-Like Oxidized Ldl Receptor-1 Acts By Stabilizing An Inactive Receptor Tetramer State Commun Chem 2020.
ISSN: ESSN 2399-3669
DOI: 10.1038/S42004-020-0321-2
Page generated: Wed Dec 16 01:54:51 2020

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