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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

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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

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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

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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

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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

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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

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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

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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

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