Chlorine in PDB 7xhy: Crystal Structure of Mertk Kinase Domain with BMS794833

Enzymatic activity of Crystal Structure of Mertk Kinase Domain with BMS794833

All present enzymatic activity of Crystal Structure of Mertk Kinase Domain with BMS794833:
2.7.10.1;

Protein crystallography data

The structure of Crystal Structure of Mertk Kinase Domain with BMS794833, PDB code: 7xhy was solved by J.H.Kim, B.I.Lee, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.71 / 2.16
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 92.127, 92.533, 71.435, 90, 90, 90
R / Rfree (%) 20.8 / 25.2

Other elements in 7xhy:

The structure of Crystal Structure of Mertk Kinase Domain with BMS794833 also contains other interesting chemical elements:

Fluorine (F) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Mertk Kinase Domain with BMS794833 (pdb code 7xhy). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of Mertk Kinase Domain with BMS794833, PDB code: 7xhy:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 7xhy

Go back to Chlorine Binding Sites List in 7xhy
Chlorine binding site 1 out of 5 in the Crystal Structure of Mertk Kinase Domain with BMS794833


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 Mertk Kinase Domain with BMS794833 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl901

b:38.8
occ:1.00
 CL1 A:E0X901 0.0 38.8 1.0
C03 A:E0X901 1.8 39.3 1.0
C04 A:E0X901 2.7 34.6 1.0
C02 A:E0X901 2.8 36.9 1.0
O09 A:E0X901 2.8 35.5 1.0
N08 A:E0X901 3.1 39.9 1.0
O A:DMS906 3.4 52.1 1.0
CG1 A:VAL601 3.9 35.9 1.0
C05 A:E0X901 4.0 34.4 1.0
CE2 A:PHE742 4.0 34.5 1.0
N01 A:E0X901 4.1 35.9 1.0
CZ A:PHE742 4.1 39.2 1.0
C10 A:E0X901 4.2 37.5 1.0
CE A:MET730 4.4 37.1 1.0
CD1 A:LEU593 4.5 40.4 1.0
C06 A:E0X901 4.5 36.9 1.0
CB A:VAL601 4.7 47.0 1.0
CB A:LEU593 4.9 43.4 1.0
S A:DMS906 4.9 64.9 1.0
C11 A:E0X901 4.9 34.6 1.0
CG2 A:VAL601 5.0 42.6 1.0

Chlorine binding site 2 out of 5 in 7xhy

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Chlorine binding site 2 out of 5 in the Crystal Structure of Mertk Kinase Domain with BMS794833


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 Mertk Kinase Domain with BMS794833 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl902

b:34.5
occ:1.00
 N A:LYS820 3.3 38.5 1.0
CA A:TYR801 3.7 38.4 1.0
CA A:LEU819 3.8 36.9 1.0
CD A:PRO802 3.8 36.0 1.0
CG A:LYS820 3.8 44.3 1.0
CD2 A:LEU819 3.9 33.0 1.0
NZ A:LYS820 3.9 57.7 1.0
C A:LEU819 4.0 39.2 1.0
CD A:LYS820 4.0 50.6 1.0
N A:TYR801 4.0 37.4 1.0
CB A:LYS820 4.1 37.6 1.0
CA A:LYS820 4.2 39.5 1.0
CZ2 A:TRP791 4.3 35.7 1.0
CE A:LYS820 4.4 47.1 1.0
CG A:PRO802 4.4 41.5 1.0
CB A:LEU819 4.5 33.4 1.0
N A:PRO802 4.5 38.6 1.0
C A:TYR801 4.5 40.1 1.0
CD2 A:TYR801 4.6 37.1 1.0
O A:ARG818 4.6 40.5 1.0
CB A:TYR801 4.6 38.9 1.0
CG A:LEU819 4.8 36.1 1.0
CG A:TYR801 4.8 40.1 1.0
N A:LEU819 4.8 38.6 1.0
CE2 A:TRP791 4.8 34.9 1.0
NE1 A:TRP791 4.9 32.8 1.0
O A:LYS820 5.0 37.5 1.0

Chlorine binding site 3 out of 5 in 7xhy

Go back to Chlorine Binding Sites List in 7xhy
Chlorine binding site 3 out of 5 in the Crystal Structure of Mertk Kinase Domain with BMS794833


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Mertk Kinase Domain with BMS794833 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl903

b:49.4
occ:1.00
 N A:ARG818 3.4 46.4 1.0
O A:ARG818 3.4 40.5 1.0
C A:ARG818 4.1 43.5 1.0
CA A:ARG818 4.1 46.0 1.0
CA A:HIS817 4.2 48.4 1.0
C A:HIS817 4.3 48.5 1.0
CB A:ARG818 4.4 44.8 1.0
CB A:HIS817 4.7 50.7 1.0
CD2 A:HIS817 4.9 49.6 1.0
O A:LEU819 4.9 40.0 1.0
O A:GLY816 5.0 52.9 1.0

Chlorine binding site 4 out of 5 in 7xhy

Go back to Chlorine Binding Sites List in 7xhy
Chlorine binding site 4 out of 5 in the Crystal Structure of Mertk Kinase Domain with BMS794833


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Mertk Kinase Domain with BMS794833 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl904

b:60.0
occ:1.00
 CG A:ASP733 3.6 55.8 1.0
OD1 A:ASP733 3.6 47.9 1.0
O A:PHE673 3.7 38.8 1.0
OD2 A:ASP733 3.8 59.5 1.0
N A:ASP733 3.8 45.8 1.0
CG A:MET674 3.8 39.2 1.0
O A:HOH1001 4.0 42.0 1.0
CB A:ASP733 4.1 46.7 1.0
CA A:ARG732 4.5 42.7 1.0
CB A:ARG732 4.5 38.8 1.0
CA A:MET674 4.6 39.5 1.0
CA A:ASP733 4.6 45.4 1.0
CD A:ARG732 4.6 52.2 1.0
C A:ARG732 4.7 43.1 1.0
C A:PHE673 4.7 39.3 1.0
CB A:MET674 4.7 40.1 1.0
CG A:ARG732 4.8 47.8 1.0
O A:HOH1012 4.8 41.1 1.0
SD A:MET674 5.0 47.0 1.0

Chlorine binding site 5 out of 5 in 7xhy

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Chlorine binding site 5 out of 5 in the Crystal Structure of Mertk Kinase Domain with BMS794833


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Mertk Kinase Domain with BMS794833 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl905

b:57.3
occ:1.00
 N A:SER613 3.1 46.2 1.0
CB A:SER613 3.8 45.4 1.0
CA A:THR612 3.8 51.0 1.0
C A:THR612 4.0 52.0 1.0
CA A:SER613 4.0 43.4 1.0
CB A:THR612 4.0 49.5 1.0
OG A:SER613 4.2 52.1 1.0
O A:SER613 4.4 46.5 1.0
CG2 A:THR612 4.7 49.5 1.0
C A:SER613 4.7 46.2 1.0
O A:GLY611 4.9 56.0 1.0

Reference:

S.H.Bae, J.H.Kim, T.H.Park, K.Lee, B.I.Lee, H.Jang. BMS794833 Inhibits Macrophage Efferocytosis By Directly Binding to Mertk and Inhibiting Its Activity. Exp.Mol.Med. V. 54 1450 2022.
ISSN: ISSN 1226-3613
PubMed: 36056187
DOI: 10.1038/S12276-022-00840-X
Page generated: Tue Jul 30 05:48:02 2024

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