Atomistry » Chlorine » PDB 6jlh-6jzi » 6joj
Atomistry »
  Chlorine »
    PDB 6jlh-6jzi »
      6joj »

Chlorine in PDB 6joj: Crystal Structure of Pdgfra T674I in Complex with Crenolanib By Soaking

Enzymatic activity of Crystal Structure of Pdgfra T674I in Complex with Crenolanib By Soaking

All present enzymatic activity of Crystal Structure of Pdgfra T674I in Complex with Crenolanib By Soaking:
2.7.10.1;

Protein crystallography data

The structure of Crystal Structure of Pdgfra T674I in Complex with Crenolanib By Soaking, PDB code: 6joj was solved by L.Liang, X.E.Yan, C.H.Yun, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.80 / 2.60
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 100.556, 100.556, 110.987, 90.00, 90.00, 120.00
R / Rfree (%) 22.4 / 23.3

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Pdgfra T674I in Complex with Crenolanib By Soaking (pdb code 6joj). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Crystal Structure of Pdgfra T674I in Complex with Crenolanib By Soaking, PDB code: 6joj:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 6joj

Go back to Chlorine Binding Sites List in 6joj
Chlorine binding site 1 out of 7 in the Crystal Structure of Pdgfra T674I in Complex with Crenolanib By Soaking


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 Pdgfra T674I in Complex with Crenolanib By Soaking within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1004

b:57.6
occ:1.00
OG A:SER942 3.4 30.9 1.0
N A:SER942 3.6 31.7 1.0
CB A:SER942 3.9 25.4 1.0
CB A:HIS945 4.0 35.7 1.0
CG A:HIS945 4.3 43.5 1.0
CA A:PRO941 4.3 34.7 1.0
CD2 A:HIS945 4.4 40.6 1.0
CA A:SER942 4.4 29.3 1.0
C A:PRO941 4.5 39.2 1.0
O A:ARG940 4.9 38.2 1.0

Chlorine binding site 2 out of 7 in 6joj

Go back to Chlorine Binding Sites List in 6joj
Chlorine binding site 2 out of 7 in the Crystal Structure of Pdgfra T674I in Complex with Crenolanib By Soaking


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 Pdgfra T674I in Complex with Crenolanib By Soaking within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1005

b:60.8
occ:1.00
N A:SER923 3.5 41.4 1.0
OG A:SER923 3.9 53.2 1.0
CB A:SER923 4.0 42.8 1.0
CA A:THR922 4.1 39.4 1.0
C A:THR922 4.2 40.0 1.0
CA A:SER923 4.3 47.7 1.0
CB A:THR922 4.3 38.4 1.0
NZ A:LYS917 4.6 52.1 1.0
OE1 A:GLU924 4.9 56.4 1.0

Chlorine binding site 3 out of 7 in 6joj

Go back to Chlorine Binding Sites List in 6joj
Chlorine binding site 3 out of 7 in the Crystal Structure of Pdgfra T674I in Complex with Crenolanib By Soaking


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 Pdgfra T674I in Complex with Crenolanib By Soaking within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1006

b:64.3
occ:1.00
OD2 A:ASP919 3.4 58.8 1.0
CG A:ASP919 3.6 60.1 1.0
N A:ASP919 3.8 37.5 1.0
OD1 A:ASP919 3.9 56.7 1.0
CA A:PRO918 4.2 35.9 1.0
CB A:SER890 4.3 28.5 1.0
CB A:ASP919 4.4 55.0 1.0
CZ2 A:TRP886 4.5 30.2 1.0
C A:PRO918 4.5 36.6 1.0
CH2 A:TRP886 4.6 33.3 1.0
CA A:ASP919 4.7 45.9 1.0
CB A:PRO918 4.8 34.7 1.0
CA A:SER890 4.8 32.2 1.0

Chlorine binding site 4 out of 7 in 6joj

Go back to Chlorine Binding Sites List in 6joj
Chlorine binding site 4 out of 7 in the Crystal Structure of Pdgfra T674I in Complex with Crenolanib By Soaking


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 Pdgfra T674I in Complex with Crenolanib By Soaking within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1007

b:54.0
occ:1.00
CG2 A:THR874 2.5 32.9 1.0
CB A:THR874 3.8 31.8 1.0
N A:PHE943 3.8 34.6 1.0
CB A:ALA810 3.9 22.9 1.0
CD2 A:PHE943 3.9 26.6 1.0
CA A:SER942 4.1 29.3 1.0
CB A:SER942 4.2 25.4 1.0
C A:SER942 4.5 34.4 1.0
OG1 A:THR874 4.5 38.8 1.0
CE2 A:PHE943 4.5 27.0 1.0
CG A:PHE943 4.6 31.1 1.0
CB A:PHE943 4.7 24.3 1.0
CG2 A:VAL878 4.7 26.0 1.0
C A:THR874 4.8 38.6 1.0
O A:THR874 4.8 34.6 1.0
CA A:PHE943 4.9 29.8 1.0
CA A:THR874 4.9 33.3 1.0

Chlorine binding site 5 out of 7 in 6joj

Go back to Chlorine Binding Sites List in 6joj
Chlorine binding site 5 out of 7 in the Crystal Structure of Pdgfra T674I in Complex with Crenolanib By Soaking


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 Pdgfra T674I in Complex with Crenolanib By Soaking within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1008

b:83.2
occ:1.00
NZ A:LYS623 3.5 60.0 1.0
CE A:LYS623 4.8 42.8 1.0

Chlorine binding site 6 out of 7 in 6joj

Go back to Chlorine Binding Sites List in 6joj
Chlorine binding site 6 out of 7 in the Crystal Structure of Pdgfra T674I in Complex with Crenolanib By Soaking


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Pdgfra T674I in Complex with Crenolanib By Soaking within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1009

b:60.1
occ:1.00
OE1 A:GLU807 3.8 49.6 1.0
NH1 A:ARG804 3.9 26.4 1.0
CE1 A:TYR944 4.0 33.8 1.0
OE2 A:GLU807 4.0 47.2 1.0
CZ A:ARG804 4.0 30.3 1.0
CD1 A:TYR944 4.2 34.9 1.0
NE A:ARG804 4.3 34.0 1.0
CD A:GLU807 4.3 46.1 1.0
CB A:SER947 4.4 29.3 1.0
CD A:ARG804 4.5 31.3 1.0
NH2 A:ARG804 4.5 22.6 1.0
CZ A:TYR944 4.7 39.3 1.0
OH A:TYR800 4.8 32.4 1.0
OG A:SER947 4.8 32.2 1.0

Chlorine binding site 7 out of 7 in 6joj

Go back to Chlorine Binding Sites List in 6joj
Chlorine binding site 7 out of 7 in the Crystal Structure of Pdgfra T674I in Complex with Crenolanib By Soaking


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Pdgfra T674I in Complex with Crenolanib By Soaking within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1010

b:51.2
occ:1.00
CG A:TRP559 3.8 35.3 1.0
CB A:TRP559 4.0 31.5 1.0
CD1 A:TRP559 4.1 37.4 1.0
CD2 A:TRP559 4.1 33.7 1.0
N A:TRP559 4.1 39.8 1.0
OD1 A:ASP836 4.1 40.8 1.0
NE1 A:TRP559 4.5 35.7 1.0
CE2 A:TRP559 4.5 32.9 1.0
CE3 A:TRP559 4.6 32.0 1.0
CA A:TRP559 4.7 38.5 1.0
CG A:ASP836 4.7 40.4 1.0
CG A:GLU644 4.7 42.8 1.0
O A:HOH1118 4.9 39.3 1.0
CA A:ARG558 5.0 43.1 1.0
C A:ARG558 5.0 41.8 1.0
O A:ILE557 5.0 38.8 1.0

Reference:

L.Liang, X.E.Yan. Crystal Structure of Pdgfra in Complex with Crenolanib By Soaking To Be Published.
Page generated: Sun Jul 28 02:12:20 2024

Last articles

Br in 3ETG
Br in 3F75
Br in 3F6O
Br in 3ESP
Br in 3F2F
Br in 3F0P
Br in 3F0O
Br in 3EN9
Br in 3ESO
Br in 3ESN
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy