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Nickel in PDB 8uoh: Crystal Structure of Human NUAK1-MARK3 Kinase Domain Chimera Bound with Small Molecule Inhibitor #10

Enzymatic activity of Crystal Structure of Human NUAK1-MARK3 Kinase Domain Chimera Bound with Small Molecule Inhibitor #10

All present enzymatic activity of Crystal Structure of Human NUAK1-MARK3 Kinase Domain Chimera Bound with Small Molecule Inhibitor #10:
2.7.11.1;

Protein crystallography data

The structure of Crystal Structure of Human NUAK1-MARK3 Kinase Domain Chimera Bound with Small Molecule Inhibitor #10, PDB code: 8uoh was solved by S.L.Delker, J.Abendroth, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.44 / 2.15
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 61.88, 113.41, 116.64, 90, 90, 90
R / Rfree (%) 17.5 / 22

Nickel Binding Sites:

The binding sites of Nickel atom in the Crystal Structure of Human NUAK1-MARK3 Kinase Domain Chimera Bound with Small Molecule Inhibitor #10 (pdb code 8uoh). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total only one binding site of Nickel was determined in the Crystal Structure of Human NUAK1-MARK3 Kinase Domain Chimera Bound with Small Molecule Inhibitor #10, PDB code: 8uoh:

Nickel binding site 1 out of 1 in 8uoh

Go back to Nickel Binding Sites List in 8uoh
Nickel binding site 1 out of 1 in the Crystal Structure of Human NUAK1-MARK3 Kinase Domain Chimera Bound with Small Molecule Inhibitor #10


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 Human NUAK1-MARK3 Kinase Domain Chimera Bound with Small Molecule Inhibitor #10 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ni404

b:39.8
occ:1.00
 O A:GLY43 2.0 41.5 1.0
NE2 A:HIS52 2.1 39.5 1.0
N A:GLY43 2.2 39.2 1.0
C A:GLY43 2.8 38.9 1.0
CA A:GLY43 2.9 40.9 1.0
CD2 A:HIS52 3.1 35.5 1.0
CE1 A:HIS52 3.1 34.7 1.0
N A:ALA44 4.0 46.3 1.0
O A:HOH623 4.2 47.4 1.0
ND1 A:HIS52 4.2 30.1 1.0
CG A:HIS52 4.2 34.9 1.0
O A:HOH610 4.6 46.2 1.0
CA A:ALA44 4.8 40.3 1.0
C A:ALA44 4.8 49.4 1.0

Reference:

S.L.Delker, J.Abendroth. Crystal Structure of Human NUAK1-MARK3 Kinase Domain Chimera Bound with Small Molecule Inhibitor #10 To Be Published.
Page generated: Thu Oct 31 23:10:47 2024

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