Atomistry » Bromine » PDB 6hbt-6lg9 » 6hm7
Atomistry »
  Bromine »
    PDB 6hbt-6lg9 »
      6hm7 »

Bromine in PDB 6hm7: Crystal Structure of Spleen Tyrosine Kinase (Syk) in Complex with A 2- (Phenoxymethyl)Pyridine Inhibitor

Enzymatic activity of Crystal Structure of Spleen Tyrosine Kinase (Syk) in Complex with A 2- (Phenoxymethyl)Pyridine Inhibitor

All present enzymatic activity of Crystal Structure of Spleen Tyrosine Kinase (Syk) in Complex with A 2- (Phenoxymethyl)Pyridine Inhibitor:
2.7.10.2;

Protein crystallography data

The structure of Crystal Structure of Spleen Tyrosine Kinase (Syk) in Complex with A 2- (Phenoxymethyl)Pyridine Inhibitor, PDB code: 6hm7 was solved by D.O.Somers, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.64
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 41.114, 84.892, 40.361, 90.00, 100.16, 90.00
R / Rfree (%) 17.2 / 21

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of Spleen Tyrosine Kinase (Syk) in Complex with A 2- (Phenoxymethyl)Pyridine Inhibitor (pdb code 6hm7). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 3 binding sites of Bromine where determined in the Crystal Structure of Spleen Tyrosine Kinase (Syk) in Complex with A 2- (Phenoxymethyl)Pyridine Inhibitor, PDB code: 6hm7:
Jump to Bromine binding site number: 1; 2; 3;

Bromine binding site 1 out of 3 in 6hm7

Go back to Bromine Binding Sites List in 6hm7
Bromine binding site 1 out of 3 in the Crystal Structure of Spleen Tyrosine Kinase (Syk) in Complex with A 2- (Phenoxymethyl)Pyridine Inhibitor


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of Spleen Tyrosine Kinase (Syk) in Complex with A 2- (Phenoxymethyl)Pyridine Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br702

b:37.3
occ:0.62
O A:HOH1085 3.3 61.1 1.0
N A:LEU372 3.4 27.4 1.0
NH2 A:ARG367 3.5 30.9 1.0
NH1 A:ARG367 3.5 32.2 1.0
CA A:THR371 3.9 27.6 1.0
CZ A:ARG367 4.0 32.6 1.0
O A:LEU370 4.1 28.0 1.0
O A:HOH896 4.1 39.7 1.0
C A:THR371 4.1 28.3 1.0
O A:LEU372 4.2 30.0 1.0
CB A:LEU372 4.2 29.2 1.0
O A:HOH937 4.2 46.0 1.0
CA A:LEU372 4.3 28.7 1.0
CG A:LEU372 4.5 28.8 1.0
CG2 A:THR371 4.5 29.1 1.0
C A:LEU372 4.8 31.9 1.0
CB A:THR371 4.8 28.0 1.0
N A:THR371 4.8 26.8 1.0
C A:LEU370 4.8 28.2 1.0

Bromine binding site 2 out of 3 in 6hm7

Go back to Bromine Binding Sites List in 6hm7
Bromine binding site 2 out of 3 in the Crystal Structure of Spleen Tyrosine Kinase (Syk) in Complex with A 2- (Phenoxymethyl)Pyridine Inhibitor


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of Spleen Tyrosine Kinase (Syk) in Complex with A 2- (Phenoxymethyl)Pyridine Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br703

b:29.8
occ:0.58
O A:HOH1104 3.0 44.5 1.0
O A:HOH1043 3.2 31.8 1.0
N A:LYS537 3.4 18.4 1.0
N A:VAL536 3.5 21.7 1.0
CG A:LYS537 3.6 21.0 1.0
C A:PRO535 3.7 23.6 1.0
CB A:LYS537 3.7 18.8 1.0
CA A:PRO535 3.8 27.4 1.0
CZ3 A:TRP538 3.8 18.1 1.0
CD A:LYS537 4.0 22.9 1.0
CE3 A:TRP538 4.1 15.5 1.0
CA A:LYS537 4.2 17.7 1.0
CA A:VAL536 4.3 22.7 1.0
C A:VAL536 4.3 19.7 1.0
O A:TRP534 4.3 30.1 1.0
O A:PRO535 4.4 21.7 1.0
CE A:LYS537 4.6 26.7 1.0
CB A:VAL536 4.7 24.7 1.0
CB A:PRO535 4.7 28.3 1.0
O A:HOH995 4.7 40.3 1.0
O A:HOH1087 4.9 50.4 1.0
N A:PRO535 4.9 28.2 1.0

Bromine binding site 3 out of 3 in 6hm7

Go back to Bromine Binding Sites List in 6hm7
Bromine binding site 3 out of 3 in the Crystal Structure of Spleen Tyrosine Kinase (Syk) in Complex with A 2- (Phenoxymethyl)Pyridine Inhibitor


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Crystal Structure of Spleen Tyrosine Kinase (Syk) in Complex with A 2- (Phenoxymethyl)Pyridine Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br704

b:34.0
occ:0.49
O A:HOH1030 3.0 29.2 1.0
O A:HOH863 3.1 17.1 1.0
O A:HOH956 3.5 27.9 1.0
NH1 A:ARG498 3.5 22.9 1.0
CD A:ARG498 4.0 19.1 1.0
CH2 A:TRP538 4.0 17.6 1.0
ND2 A:ASN457 4.1 22.6 1.0
CZ2 A:TRP538 4.3 17.1 1.0
CB A:ARG498 4.3 16.8 1.0
CG A:ARG498 4.4 18.7 1.0
O A:HOH989 4.5 42.6 1.0
OE2 A:GLU564 4.5 16.6 1.0
CZ A:ARG498 4.5 21.0 1.0
O A:HOH1119 4.5 45.5 1.0
NZ A:LYS571 4.6 46.7 1.0
NE A:ARG498 4.7 19.4 1.0
O A:HOH1076 4.9 23.5 1.0
CZ3 A:TRP538 5.0 18.1 1.0

Reference:

M.D.Barker, J.Liddle, F.L.Atkinson, D.M.Wilson, M.C.Dickson, C.Ramirez-Molina, H.Lewis, R.P.Davis, D.O.Somers, M.Neu, E.Jones, R.Watson. Discovery of Potent and Selective Spleen Tyrosine Kinase Inhibitors For the Topical Treatment of Inflammatory Skin Disease. Bioorg. Med. Chem. Lett. V. 28 3458 2018.
ISSN: ESSN 1464-3405
PubMed: 30249354
DOI: 10.1016/J.BMCL.2018.09.022
Page generated: Mon Jul 7 10:00:33 2025

Last articles

Cl in 2UY3
Cl in 2UXX
Cl in 2UU7
Cl in 2UXN
Cl in 2UXG
Cl in 2UXF
Cl in 2UX7
Cl in 2UX1
Cl in 2UWX
Cl in 2UX6
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy