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Chlorine 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:

Calcium (Ca) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of 3',5"-Aminoglycoside Phosphotransferase Type Iiia Protein Kinase Inhibitor Cki-7 Complex, PDB code: 3q2j:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 3q2j

Go back to Chlorine Binding Sites List in 3q2j
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl300

b:34.9
occ:1.00
 CL5 A:CKI300 0.0 34.9 1.0
C5 A:CKI300 1.7 35.4 1.0
C6 A:CKI300 2.6 32.3 1.0
C10 A:CKI300 2.8 31.1 1.0
C4 A:CKI300 3.2 29.9 1.0
O A:HOH317 3.5 28.9 1.0
CE A:MET90 3.7 20.3 1.0
CB A:TYR42 3.9 27.5 1.0
C7 A:CKI300 3.9 37.7 1.0
SD A:MET26 4.0 45.0 1.0
CG1 A:VAL31 4.0 27.9 1.0
C9 A:CKI300 4.0 32.6 1.0
CD A:LYS44 4.1 25.4 1.0
SD A:MET90 4.3 27.7 1.0
CG A:TYR42 4.3 30.1 1.0
CE A:MET26 4.3 34.9 1.0
CD2 A:TYR42 4.5 31.5 1.0
C8 A:CKI300 4.5 37.0 1.0
CG2 A:VAL31 4.5 25.4 1.0
C3 A:CKI300 4.6 27.9 1.0
CB A:LYS44 4.6 23.8 1.0
CG A:LYS44 4.8 24.9 1.0
CB A:VAL31 4.9 32.1 1.0

Chlorine binding site 2 out of 2 in 3q2j

Go back to Chlorine Binding Sites List in 3q2j
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl300

b:38.0
occ:1.00
 CL5 B:CKI300 0.0 38.0 1.0
C5 B:CKI300 1.7 33.1 1.0
C6 B:CKI300 2.7 34.4 1.0
C10 B:CKI300 2.7 29.2 1.0
C4 B:CKI300 3.1 30.9 1.0
O B:HOH378 3.5 30.5 1.0
CE B:MET90 3.9 26.1 1.0
C7 B:CKI300 3.9 36.2 1.0
CG1 B:VAL31 4.0 30.7 1.0
C9 B:CKI300 4.0 33.0 1.0
CB B:TYR42 4.0 23.2 1.0
SD B:MET26 4.1 44.9 1.0
SD B:MET90 4.2 26.4 1.0
CD B:LYS44 4.3 22.1 1.0
CG2 B:VAL31 4.4 28.4 1.0
CG B:TYR42 4.4 25.5 1.0
CD2 B:TYR42 4.4 30.8 1.0
C8 B:CKI300 4.5 32.8 1.0
C3 B:CKI300 4.5 26.4 1.0
CE B:MET26 4.6 35.7 1.0
CB B:LYS44 4.7 24.0 1.0
CB B:VAL31 4.8 32.7 1.0
CG B:LYS44 5.0 26.1 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: Sun Jul 21 02:42:35 2024

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