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Calcium in PDB 3uix: Crystal Structure of PIM1 Kinase in Complex with Small Molecule Inhibitor

Enzymatic activity of Crystal Structure of PIM1 Kinase in Complex with Small Molecule Inhibitor

All present enzymatic activity of Crystal Structure of PIM1 Kinase in Complex with Small Molecule Inhibitor:
2.7.11.1;

Protein crystallography data

The structure of Crystal Structure of PIM1 Kinase in Complex with Small Molecule Inhibitor, PDB code: 3uix was solved by L.J.Parker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.14 / 2.20
Space group P 65
Cell size a, b, c (Å), α, β, γ (°) 97.006, 97.006, 80.898, 90.00, 90.00, 120.00
R / Rfree (%) 16.6 / 20.1

Other elements in 3uix:

The structure of Crystal Structure of PIM1 Kinase in Complex with Small Molecule Inhibitor also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of PIM1 Kinase in Complex with Small Molecule Inhibitor (pdb code 3uix). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Crystal Structure of PIM1 Kinase in Complex with Small Molecule Inhibitor, PDB code: 3uix:

Calcium binding site 1 out of 1 in 3uix

Go back to Calcium Binding Sites List in 3uix
Calcium binding site 1 out of 1 in the Crystal Structure of PIM1 Kinase in Complex with Small Molecule Inhibitor


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of PIM1 Kinase in Complex with Small Molecule Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca404

b:27.9
occ:0.50
 NE2 A:GLN264 2.8 19.3 1.0
O A:GLN257 2.8 25.6 1.0
N A:VAL259 2.9 20.9 1.0
O A:VAL259 3.5 19.9 1.0
CA A:ARG258 3.5 21.7 0.4
CA A:ARG258 3.5 22.4 0.6
C A:ARG258 3.7 21.5 1.0
C A:GLN257 3.8 25.5 1.0
CB A:PHE255 3.8 26.4 1.0
CA A:VAL259 3.9 19.5 1.0
CB A:VAL259 4.0 19.6 1.0
CD A:GLN264 4.1 23.5 1.0
N A:ARG258 4.1 22.6 1.0
C A:VAL259 4.1 19.8 1.0
CG2 A:VAL259 4.4 17.9 1.0
CG A:PHE255 4.5 25.9 1.0
CB A:ARG258 4.7 20.8 0.4
O A:PHE255 4.7 29.3 1.0
CD A:ARG258 4.8 27.1 0.6
CG A:GLN264 4.8 20.0 1.0
CD A:ARG258 4.8 15.8 0.4
CB A:ARG258 4.8 22.0 0.6
O A:ARG258 4.8 20.8 1.0
CD1 A:PHE255 4.9 26.1 1.0
OE1 A:GLN264 5.0 21.9 1.0
CA A:PHE255 5.0 27.0 1.0
C A:PHE255 5.0 28.1 1.0
CG A:ARG258 5.0 23.3 0.6

Reference:

K.Tsuganezawa, H.Watanabe, L.Parker, H.Yuki, S.Taruya, Y.Nakagawa, D.Kamei, M.Mori, N.Ogawa, Y.Tomabechi, N.Handa, T.Honma, S.Yokoyama, H.Kojima, T.Okabe, T.Nagano, A.Tanaka. A Novel Pim-1 Kinase Inhibitor Targeting Residues That Bind the Substrate Peptide. J.Mol.Biol. V. 417 240 2012.
ISSN: ISSN 0022-2836
PubMed: 22306408
DOI: 10.1016/J.JMB.2012.01.036
Page generated: Sat Jul 13 20:11:12 2024

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