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Fluorine in PDB 4gl9: Crystal Structure of Inhibitory Protein SOCS3 in Complex with JAK2 Kinase Domain and Fragment of GP130 Intracellular Domain

Enzymatic activity of Crystal Structure of Inhibitory Protein SOCS3 in Complex with JAK2 Kinase Domain and Fragment of GP130 Intracellular Domain

All present enzymatic activity of Crystal Structure of Inhibitory Protein SOCS3 in Complex with JAK2 Kinase Domain and Fragment of GP130 Intracellular Domain:
2.7.10.2;

Protein crystallography data

The structure of Crystal Structure of Inhibitory Protein SOCS3 in Complex with JAK2 Kinase Domain and Fragment of GP130 Intracellular Domain, PDB code: 4gl9 was solved by N.J.Kershaw, J.M.Murphy, A.Laktyushin, N.A.Nicola, J.J.Babon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.58 / 3.90
Space group P 65
Cell size a, b, c (Å), α, β, γ (°) 139.262, 139.262, 316.742, 90.00, 90.00, 120.00
R / Rfree (%) 25 / 28.1

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Inhibitory Protein SOCS3 in Complex with JAK2 Kinase Domain and Fragment of GP130 Intracellular Domain (pdb code 4gl9). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Crystal Structure of Inhibitory Protein SOCS3 in Complex with JAK2 Kinase Domain and Fragment of GP130 Intracellular Domain, PDB code: 4gl9:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 4gl9

Go back to Fluorine Binding Sites List in 4gl9
Fluorine binding site 1 out of 4 in the Crystal Structure of Inhibitory Protein SOCS3 in Complex with JAK2 Kinase Domain and Fragment of GP130 Intracellular Domain


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Inhibitory Protein SOCS3 in Complex with JAK2 Kinase Domain and Fragment of GP130 Intracellular Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F2001

b:0.2
occ:1.00
 F1 A:IZA2001 0.0 0.2 1.0
C6 A:IZA2001 1.3 0.3 1.0
C7 A:IZA2001 2.4 0.5 1.0
C5 A:IZA2001 2.4 0.7 1.0
O A:LEU932 3.4 0.1 1.0
CA A:GLY935 3.5 0.7 1.0
CD2 A:LEU855 3.5 0.1 1.0
C4 A:IZA2001 3.6 0.3 1.0
O A:PRO933 3.6 0.0 1.0
C8 A:IZA2001 3.7 0.8 1.0
N A:GLY935 3.8 0.2 1.0
C3 A:IZA2001 4.1 0.3 1.0
C A:PRO933 4.2 0.6 1.0
CE1 A:TYR931 4.3 0.6 1.0
CG A:LEU855 4.4 0.4 1.0
C A:LEU932 4.5 0.0 1.0
CD1 A:LEU855 4.5 0.2 1.0
CB A:LEU855 4.5 0.5 1.0
O0 A:IZA2001 4.6 1.0 1.0
CA A:PRO933 4.6 0.3 1.0
C A:TYR934 4.7 0.1 1.0
C A:GLY935 4.8 0.4 1.0
OH A:TYR931 4.9 0.2 1.0
C10 A:IZA2001 4.9 0.7 1.0
CZ A:TYR931 5.0 1.0 1.0

Fluorine binding site 2 out of 4 in 4gl9

Go back to Fluorine Binding Sites List in 4gl9
Fluorine binding site 2 out of 4 in the Crystal Structure of Inhibitory Protein SOCS3 in Complex with JAK2 Kinase Domain and Fragment of GP130 Intracellular Domain


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Inhibitory Protein SOCS3 in Complex with JAK2 Kinase Domain and Fragment of GP130 Intracellular Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1201

b:0.5
occ:1.00
 F1 B:IZA1201 0.0 0.5 1.0
C6 B:IZA1201 1.3 0.2 1.0
C7 B:IZA1201 2.4 0.3 1.0
C5 B:IZA1201 2.4 0.1 1.0
CA B:GLY935 3.4 0.5 1.0
C4 B:IZA1201 3.6 1.0 1.0
CD2 B:LEU855 3.6 0.2 1.0
C8 B:IZA1201 3.7 0.4 1.0
O B:PRO933 3.8 0.2 1.0
N B:GLY935 3.8 0.1 1.0
O B:LEU932 3.9 0.3 1.0
C3 B:IZA1201 4.1 0.7 1.0
CE1 B:TYR931 4.1 0.2 1.0
OH B:TYR931 4.3 0.0 1.0
C B:PRO933 4.5 0.9 1.0
CG B:LEU855 4.6 0.2 1.0
O0 B:IZA1201 4.6 0.8 1.0
CZ B:TYR931 4.6 1.0 1.0
CD1 B:LEU855 4.7 0.3 1.0
C B:TYR934 4.7 0.3 1.0
CB B:LEU855 4.7 0.4 1.0
C B:GLY935 4.8 0.4 1.0
C10 B:IZA1201 4.9 0.6 1.0
C B:LEU932 4.9 0.5 1.0
CA B:PRO933 5.0 0.2 1.0

Fluorine binding site 3 out of 4 in 4gl9

Go back to Fluorine Binding Sites List in 4gl9
Fluorine binding site 3 out of 4 in the Crystal Structure of Inhibitory Protein SOCS3 in Complex with JAK2 Kinase Domain and Fragment of GP130 Intracellular Domain


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Inhibitory Protein SOCS3 in Complex with JAK2 Kinase Domain and Fragment of GP130 Intracellular Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F1201

b:0.3
occ:1.00
 F1 C:IZA1201 0.0 0.3 1.0
C6 C:IZA1201 1.3 1.0 1.0
C7 C:IZA1201 2.4 0.8 1.0
C5 C:IZA1201 2.4 0.4 1.0
CD2 C:LEU855 3.2 0.1 1.0
O C:LEU932 3.6 0.1 1.0
C4 C:IZA1201 3.6 0.6 1.0
C8 C:IZA1201 3.7 0.5 1.0
CE1 C:TYR931 4.0 0.0 1.0
CG C:LEU855 4.1 0.0 1.0
CA C:GLY935 4.1 0.8 1.0
C3 C:IZA1201 4.1 0.5 1.0
CD1 C:LEU855 4.2 0.1 1.0
CB C:LEU855 4.3 0.8 1.0
O C:PRO933 4.3 0.2 1.0
N C:GLY935 4.5 0.5 1.0
O0 C:IZA1201 4.6 1.0 1.0
CD1 C:TYR931 4.6 0.9 1.0
C C:LEU932 4.7 0.4 1.0
CZ C:TYR931 4.8 0.9 1.0
OH C:TYR931 4.8 0.6 1.0
C C:PRO933 4.8 0.9 1.0
C10 C:IZA1201 4.9 0.0 1.0
CA C:LEU855 5.0 0.9 1.0

Fluorine binding site 4 out of 4 in 4gl9

Go back to Fluorine Binding Sites List in 4gl9
Fluorine binding site 4 out of 4 in the Crystal Structure of Inhibitory Protein SOCS3 in Complex with JAK2 Kinase Domain and Fragment of GP130 Intracellular Domain


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of Inhibitory Protein SOCS3 in Complex with JAK2 Kinase Domain and Fragment of GP130 Intracellular Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F1201

b:0.8
occ:1.00
 F1 D:IZA1201 0.0 0.8 1.0
C6 D:IZA1201 1.3 0.3 1.0
C7 D:IZA1201 2.4 0.3 1.0
C5 D:IZA1201 2.4 0.0 1.0
O D:LEU932 3.5 0.7 1.0
CA D:GLY935 3.5 1.0 1.0
C4 D:IZA1201 3.6 0.6 1.0
C8 D:IZA1201 3.7 0.6 1.0
CD2 D:LEU855 3.7 0.7 1.0
CE1 D:TYR931 3.9 0.2 1.0
N D:GLY935 3.9 0.6 1.0
O D:PRO933 3.9 0.2 1.0
C3 D:IZA1201 4.1 1.0 1.0
OH D:TYR931 4.4 0.2 1.0
C D:PRO933 4.4 0.3 1.0
CZ D:TYR931 4.5 0.1 1.0
C D:LEU932 4.5 0.1 1.0
O0 D:IZA1201 4.6 0.9 1.0
CD1 D:TYR931 4.6 0.2 1.0
CD1 D:LEU855 4.7 0.2 1.0
CG D:LEU855 4.7 0.6 1.0
C D:GLY935 4.7 0.5 1.0
CA D:PRO933 4.8 0.8 1.0
C10 D:IZA1201 4.9 0.2 1.0
C D:TYR934 4.9 0.4 1.0

Reference:

N.J.Kershaw, J.M.Murphy, N.P.Liau, L.N.Varghese, A.Laktyushin, E.L.Whitlock, I.S.Lucet, N.A.Nicola, J.J.Babon. SOCS3 Binds Specific Receptor-Jak Complexes to Control Cytokine Signaling By Direct Kinase Inhibition. Nat.Struct.Mol.Biol. V. 20 469 2013.
ISSN: ISSN 1545-9993
PubMed: 23454976
DOI: 10.1038/NSMB.2519
Page generated: Thu Aug 1 01:52:26 2024

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