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Chlorine in PDB 5u6b: Structure of the Axl Kinase Domain in Complex with A Macrocyclic Inhibitor

Enzymatic activity of Structure of the Axl Kinase Domain in Complex with A Macrocyclic Inhibitor

All present enzymatic activity of Structure of the Axl Kinase Domain in Complex with A Macrocyclic Inhibitor:
2.7.10.1;

Protein crystallography data

The structure of Structure of the Axl Kinase Domain in Complex with A Macrocyclic Inhibitor, PDB code: 5u6b was solved by K.S.Gajiwala, N.Grodsky, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 59.81 / 2.84
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 81.680, 100.704, 81.921, 90.00, 93.97, 90.00
R / Rfree (%) 21.1 / 23.9

Other elements in 5u6b:

The structure of Structure of the Axl Kinase Domain in Complex with A Macrocyclic Inhibitor also contains other interesting chemical elements:

Fluorine (F) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of the Axl Kinase Domain in Complex with A Macrocyclic Inhibitor (pdb code 5u6b). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Structure of the Axl Kinase Domain in Complex with A Macrocyclic Inhibitor, PDB code: 5u6b:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 5u6b

Go back to Chlorine Binding Sites List in 5u6b
Chlorine binding site 1 out of 4 in the Structure of the Axl Kinase Domain in Complex with A Macrocyclic Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the Axl Kinase Domain in Complex with A Macrocyclic Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl9001

b:52.0
occ:1.00
 CL25 A:7YS9001 0.0 52.0 1.0
C20 A:7YS9001 1.7 47.6 1.0
C21 A:7YS9001 2.6 48.6 1.0
C16 A:7YS9001 2.7 44.9 1.0
F24 A:7YS9001 2.8 50.8 1.0
O18 A:7YS9001 3.0 42.2 1.0
C17 A:7YS9001 3.2 42.5 1.0
C19 A:7YS9001 3.4 40.4 1.0
CE A:MET598 3.5 49.5 1.0
CD1 A:LEU620 3.8 35.0 1.0
CB A:ALA689 3.8 38.9 1.0
C22 A:7YS9001 3.9 48.2 1.0
C15 A:7YS9001 4.0 44.7 1.0
C1 A:7YS9001 4.0 42.8 1.0
CG A:MET679 4.0 44.4 1.0
SD A:MET679 4.3 48.9 1.0
N32 A:7YS9001 4.4 41.7 1.0
C23 A:7YS9001 4.5 46.4 1.0
C2 A:7YS9001 4.6 43.5 1.0
N A:ASP690 4.7 43.3 1.0
N6 A:7YS9001 4.8 44.4 1.0
CE A:MET679 5.0 45.0 1.0

Chlorine binding site 2 out of 4 in 5u6b

Go back to Chlorine Binding Sites List in 5u6b
Chlorine binding site 2 out of 4 in the Structure of the Axl Kinase Domain in Complex with A Macrocyclic Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of the Axl Kinase Domain in Complex with A Macrocyclic Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl9001

b:67.6
occ:1.00
 CL25 B:7YS9001 0.0 67.6 1.0
C20 B:7YS9001 1.7 61.2 1.0
C21 B:7YS9001 2.6 58.8 1.0
C16 B:7YS9001 2.7 57.9 1.0
F24 B:7YS9001 2.9 57.5 1.0
O18 B:7YS9001 3.0 52.9 1.0
C17 B:7YS9001 3.1 52.7 1.0
C19 B:7YS9001 3.4 48.5 1.0
CE B:MET598 3.4 53.7 1.0
CG B:MET679 3.7 41.1 1.0
CB B:ALA689 3.7 41.4 1.0
C22 B:7YS9001 3.9 58.7 1.0
C1 B:7YS9001 4.0 53.3 1.0
C15 B:7YS9001 4.0 58.6 1.0
OD1 B:ASP690 4.0 59.0 1.0
SD B:MET679 4.1 45.2 1.0
CD1 B:LEU620 4.3 49.5 1.0
N32 B:7YS9001 4.4 49.9 1.0
C23 B:7YS9001 4.5 58.5 1.0
C2 B:7YS9001 4.6 51.7 1.0
CE B:MET679 4.7 41.5 1.0
N B:ASP690 4.8 37.8 1.0
N6 B:7YS9001 4.8 56.4 1.0

Chlorine binding site 3 out of 4 in 5u6b

Go back to Chlorine Binding Sites List in 5u6b
Chlorine binding site 3 out of 4 in the Structure of the Axl Kinase Domain in Complex with A Macrocyclic Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of the Axl Kinase Domain in Complex with A Macrocyclic Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl9001

b:50.6
occ:1.00
 CL25 C:7YS9001 0.0 50.6 1.0
C20 C:7YS9001 1.7 50.2 1.0
C21 C:7YS9001 2.6 50.7 1.0
C16 C:7YS9001 2.7 48.2 1.0
F24 C:7YS9001 2.8 48.9 1.0
O18 C:7YS9001 3.0 45.4 1.0
C17 C:7YS9001 3.1 46.5 1.0
C19 C:7YS9001 3.4 46.2 1.0
CE C:MET598 3.5 47.5 1.0
CD1 C:LEU620 3.8 42.3 1.0
CB C:ALA689 3.8 42.6 1.0
CG C:MET679 3.9 45.8 1.0
C22 C:7YS9001 3.9 51.4 1.0
C1 C:7YS9001 4.0 44.8 1.0
C15 C:7YS9001 4.0 47.9 1.0
SD C:MET679 4.2 50.6 1.0
N32 C:7YS9001 4.3 43.5 1.0
C23 C:7YS9001 4.5 49.3 1.0
C2 C:7YS9001 4.5 43.5 1.0
N C:ASP690 4.6 46.5 1.0
N6 C:7YS9001 4.8 44.5 1.0

Chlorine binding site 4 out of 4 in 5u6b

Go back to Chlorine Binding Sites List in 5u6b
Chlorine binding site 4 out of 4 in the Structure of the Axl Kinase Domain in Complex with A Macrocyclic Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of the Axl Kinase Domain in Complex with A Macrocyclic Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl9001

b:59.5
occ:1.00
 CL25 D:7YS9001 0.0 59.5 1.0
C20 D:7YS9001 1.7 52.7 1.0
C21 D:7YS9001 2.7 48.0 1.0
C16 D:7YS9001 2.7 49.5 1.0
F24 D:7YS9001 2.9 47.4 1.0
O18 D:7YS9001 3.0 47.6 1.0
C17 D:7YS9001 3.1 44.8 1.0
C19 D:7YS9001 3.4 41.1 1.0
CE D:MET598 3.4 56.7 1.0
CB D:ALA689 3.7 40.1 1.0
CG D:MET679 3.8 50.4 1.0
C22 D:7YS9001 3.9 46.5 1.0
C1 D:7YS9001 4.0 52.9 1.0
C15 D:7YS9001 4.0 48.3 1.0
SD D:MET679 4.2 54.7 1.0
CD1 D:LEU620 4.3 56.0 1.0
NZ D:LYS567 4.4 65.4 1.0
N32 D:7YS9001 4.5 51.7 1.0
C23 D:7YS9001 4.5 46.8 1.0
C2 D:7YS9001 4.6 53.1 1.0
N D:ASP690 4.7 40.7 1.0
CE D:MET679 4.8 50.8 1.0
N6 D:7YS9001 4.8 56.3 1.0

Reference:

K.S.Gajiwala, N.Grodsky, B.Bolanos, J.Feng, R.Ferre, S.Timofeevski, M.Xu, B.W.Murray, T.W.Johnson, A.Stewart. The Axl Kinase Domain in Complex with A Macrocyclic Inhibitor Offers First Structural Insights Into An Active Tam Receptor Kinase. J. Biol. Chem. V. 292 15705 2017.
ISSN: ESSN 1083-351X
PubMed: 28724631
DOI: 10.1074/JBC.M116.771485
Page generated: Fri Jul 26 17:56:41 2024

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