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Calcium in PDB 3q2j: Crystal Structure of 3',5"-Aminoglycoside Phosphotransferase Type Iiia Protein Kinase Inhibitor Cki-7 Complex

Enzymatic activity of Crystal Structure of 3',5"-Aminoglycoside Phosphotransferase Type Iiia Protein Kinase Inhibitor Cki-7 Complex

All present enzymatic activity of Crystal Structure of 3',5"-Aminoglycoside Phosphotransferase Type Iiia Protein Kinase Inhibitor Cki-7 Complex:
2.7.1.95;

Protein crystallography data

The structure of Crystal Structure of 3',5"-Aminoglycoside Phosphotransferase Type Iiia Protein Kinase Inhibitor Cki-7 Complex, PDB code: 3q2j was solved by D.H.Fong, B.Xiong, J.Hwang, A.M.Berghuis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.59 / 2.15
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 49.837, 91.852, 131.150, 90.00, 90.00, 90.00
R / Rfree (%) 18.9 / 23.5

Other elements in 3q2j:

The structure of Crystal Structure of 3',5"-Aminoglycoside Phosphotransferase Type Iiia Protein Kinase Inhibitor Cki-7 Complex also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of 3',5"-Aminoglycoside Phosphotransferase Type Iiia Protein Kinase Inhibitor Cki-7 Complex (pdb code 3q2j). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of 3',5"-Aminoglycoside Phosphotransferase Type Iiia Protein Kinase Inhibitor Cki-7 Complex, PDB code: 3q2j:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 3q2j

Go back to Calcium Binding Sites List in 3q2j
Calcium binding site 1 out of 2 in the Crystal Structure of 3',5"-Aminoglycoside Phosphotransferase Type Iiia Protein Kinase Inhibitor Cki-7 Complex


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 3',5"-Aminoglycoside Phosphotransferase Type Iiia Protein Kinase Inhibitor Cki-7 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca301

b:43.1
occ:1.00
 O A:HOH352 2.2 36.1 1.0
O A:GLU262 2.5 37.3 1.0
O A:HOH357 2.5 43.4 1.0
OE2 A:GLU157 2.6 42.6 1.0
O A:ASP153 2.6 39.8 1.0
OD2 A:ASP155 2.8 40.4 1.0
OD1 A:ASP155 2.9 49.8 1.0
CG A:ASP155 3.1 46.4 1.0
CG A:GLU157 3.3 50.6 1.0
CD A:GLU157 3.4 49.8 1.0
C A:GLU262 3.6 34.6 1.0
C A:ASP153 3.8 34.0 1.0
OD2 A:ASP153 4.0 45.2 1.0
CB A:ASP153 4.1 36.9 1.0
CG A:ASP153 4.2 43.2 1.0
CA A:GLU262 4.4 34.0 1.0
ND2 A:ASN158 4.4 42.0 1.0
N A:LEU263 4.5 32.7 1.0
CB A:ASP155 4.5 45.1 1.0
CA A:LEU263 4.6 32.4 1.0
N A:ASP155 4.6 43.4 1.0
OE1 A:GLU157 4.6 54.0 1.0
CA A:ASP153 4.6 36.8 1.0
O A:HOH409 4.6 34.0 1.0
N A:VAL154 4.7 40.7 1.0
CB A:GLU262 4.8 31.9 1.0
CB A:GLU157 4.8 53.1 1.0
CA A:VAL154 4.8 39.0 1.0
OD1 A:ASP153 4.9 42.7 1.0
C A:VAL154 5.0 40.8 1.0
C A:LEU263 5.0 31.3 1.0

Calcium binding site 2 out of 2 in 3q2j

Go back to Calcium Binding Sites List in 3q2j
Calcium binding site 2 out of 2 in the Crystal Structure of 3',5"-Aminoglycoside Phosphotransferase Type Iiia Protein Kinase Inhibitor Cki-7 Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of 3',5"-Aminoglycoside Phosphotransferase Type Iiia Protein Kinase Inhibitor Cki-7 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca301

b:44.3
occ:1.00
 O B:GLU262 2.5 33.4 1.0
OE2 B:GLU157 2.6 41.6 1.0
O B:ASP153 2.6 37.7 1.0
OD1 B:ASP155 2.6 41.8 1.0
O B:HOH360 2.6 39.6 1.0
OD2 B:ASP155 2.9 43.4 1.0
CG B:ASP155 3.0 42.4 1.0
CD B:GLU157 3.5 48.8 1.0
C B:GLU262 3.6 34.8 1.0
O B:HOH374 3.7 43.1 1.0
C B:ASP153 3.8 36.4 1.0
OD2 B:ASP153 3.9 56.9 1.0
CB B:ASP153 4.0 36.9 1.0
CG B:ASP153 4.1 48.5 1.0
CG B:GLU157 4.1 49.4 1.0
ND2 B:ASN158 4.3 39.1 1.0
O B:HOH268 4.3 38.5 1.0
N B:ASP155 4.4 39.4 1.0
CB B:ASP155 4.4 37.6 1.0
CB B:GLU157 4.4 44.6 1.0
OE1 B:GLU157 4.4 53.9 1.0
CA B:GLU262 4.5 34.7 1.0
N B:LEU263 4.5 34.4 1.0
CA B:LEU263 4.5 30.5 1.0
CA B:ASP153 4.5 38.9 1.0
N B:VAL154 4.7 33.9 1.0
CB B:GLU262 4.8 32.5 1.0
C B:VAL154 4.8 39.9 1.0
CA B:VAL154 4.9 36.9 1.0
CA B:ASP155 4.9 39.5 1.0
C B:LEU263 5.0 31.5 1.0
OD1 B:ASP153 5.0 50.6 1.0

Reference:

D.H.Fong, B.Xiong, J.Hwang, A.M.Berghuis. Crystal Structures of Two Aminoglycoside Kinases Bound with A Eukaryotic Protein Kinase Inhibitor. Plos One V. 6 19589 2011.
ISSN: ESSN 1932-6203
PubMed: 21573013
DOI: 10.1371/JOURNAL.PONE.0019589
Page generated: Sat Jul 13 17:02:23 2024

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