Atomistry » Chlorine » PDB 6nvh-6o0v » 6nvl
Atomistry »
  Chlorine »
    PDB 6nvh-6o0v »
      6nvl »

Chlorine in PDB 6nvl: FGFR1 Complex with N-(2-((5-((2,6-Dichloro-3,5-Dimethoxybenzyl)Oxy) Pyrimidin-2-Yl)Amino)-3-Methylphenyl)Acrylamide

Enzymatic activity of FGFR1 Complex with N-(2-((5-((2,6-Dichloro-3,5-Dimethoxybenzyl)Oxy) Pyrimidin-2-Yl)Amino)-3-Methylphenyl)Acrylamide

All present enzymatic activity of FGFR1 Complex with N-(2-((5-((2,6-Dichloro-3,5-Dimethoxybenzyl)Oxy) Pyrimidin-2-Yl)Amino)-3-Methylphenyl)Acrylamide:
2.7.10.1;

Protein crystallography data

The structure of FGFR1 Complex with N-(2-((5-((2,6-Dichloro-3,5-Dimethoxybenzyl)Oxy) Pyrimidin-2-Yl)Amino)-3-Methylphenyl)Acrylamide, PDB code: 6nvl was solved by X.Lin, J.B.Smaill, C.J.Squire, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.06 / 2.70
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 93.331, 83.701, 102.604, 90.00, 113.60, 90.00
R / Rfree (%) 21.3 / 26.3

Chlorine Binding Sites:

The binding sites of Chlorine atom in the FGFR1 Complex with N-(2-((5-((2,6-Dichloro-3,5-Dimethoxybenzyl)Oxy) Pyrimidin-2-Yl)Amino)-3-Methylphenyl)Acrylamide (pdb code 6nvl). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the FGFR1 Complex with N-(2-((5-((2,6-Dichloro-3,5-Dimethoxybenzyl)Oxy) Pyrimidin-2-Yl)Amino)-3-Methylphenyl)Acrylamide, PDB code: 6nvl:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 6nvl

Go back to Chlorine Binding Sites List in 6nvl
Chlorine binding site 1 out of 8 in the FGFR1 Complex with N-(2-((5-((2,6-Dichloro-3,5-Dimethoxybenzyl)Oxy) Pyrimidin-2-Yl)Amino)-3-Methylphenyl)Acrylamide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of FGFR1 Complex with N-(2-((5-((2,6-Dichloro-3,5-Dimethoxybenzyl)Oxy) Pyrimidin-2-Yl)Amino)-3-Methylphenyl)Acrylamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl802

b:45.1
occ:1.00
 CL1 A:XL6802 0.0 45.1 1.0
C2 A:XL6802 1.7 42.6 1.0
C1 A:XL6802 2.7 43.4 1.0
C3 A:XL6802 2.7 40.4 1.0
O1 A:XL6802 2.9 44.2 1.0
C9 A:XL6802 3.0 38.6 1.0
CB A:ALA640 3.1 33.0 1.0
O3 A:XL6802 3.4 36.9 1.0
CD1 A:LEU630 3.5 26.4 1.0
OD1 A:ASP641 3.8 47.8 1.0
CA A:ALA640 3.8 33.8 1.0
CG1 A:ILE545 3.9 25.0 1.0
C4 A:XL6802 4.0 40.6 1.0
C6 A:XL6802 4.0 41.3 1.0
C10 A:XL6802 4.1 36.6 1.0
CG2 A:ILE545 4.1 24.6 1.0
N A:ASP641 4.2 39.0 1.0
C7 A:XL6802 4.2 43.4 1.0
CB A:ILE545 4.3 24.6 1.0
CG A:LEU630 4.4 26.1 1.0
C5 A:XL6802 4.5 40.0 1.0
C A:ALA640 4.5 35.4 1.0
C11 A:XL6802 4.6 36.6 1.0
CD1 A:ILE545 4.6 25.5 1.0
C13 A:XL6802 4.8 35.8 1.0
CG A:ASP641 4.9 45.7 1.0

Chlorine binding site 2 out of 8 in 6nvl

Go back to Chlorine Binding Sites List in 6nvl
Chlorine binding site 2 out of 8 in the FGFR1 Complex with N-(2-((5-((2,6-Dichloro-3,5-Dimethoxybenzyl)Oxy) Pyrimidin-2-Yl)Amino)-3-Methylphenyl)Acrylamide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of FGFR1 Complex with N-(2-((5-((2,6-Dichloro-3,5-Dimethoxybenzyl)Oxy) Pyrimidin-2-Yl)Amino)-3-Methylphenyl)Acrylamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl802

b:45.7
occ:1.00
 CL2 A:XL6802 0.0 45.7 1.0
C4 A:XL6802 1.7 40.6 1.0
C5 A:XL6802 2.7 40.0 1.0
C3 A:XL6802 2.7 40.4 1.0
O2 A:XL6802 2.9 38.4 1.0
C9 A:XL6802 3.1 38.6 1.0
CG2 A:VAL561 3.6 26.7 1.0
CB A:LYS514 3.7 34.3 1.0
O3 A:XL6802 3.7 36.9 1.0
N A:LYS514 3.8 31.6 1.0
CG1 A:VAL492 3.9 40.1 1.0
CG2 A:VAL492 3.9 39.4 1.0
C A:VAL513 4.0 30.3 1.0
C6 A:XL6802 4.0 41.3 1.0
C2 A:XL6802 4.0 42.6 1.0
CA A:LYS514 4.1 33.5 1.0
CB A:ALA512 4.2 27.1 1.0
O A:VAL513 4.2 29.8 1.0
C8 A:XL6802 4.2 37.1 1.0
N A:VAL513 4.4 28.4 1.0
CG A:LYS514 4.4 35.0 1.0
C A:ALA512 4.5 27.4 1.0
CB A:VAL492 4.5 39.8 1.0
C1 A:XL6802 4.5 43.4 1.0
CA A:VAL513 4.6 29.6 1.0
CD A:LYS514 4.6 37.0 1.0
CG1 A:VAL561 4.7 27.0 1.0
O A:ALA512 4.8 27.6 1.0
CB A:VAL561 4.8 27.2 1.0
O A:VAL559 4.8 28.5 1.0
C10 A:XL6802 4.8 36.6 1.0
CA A:ALA512 5.0 27.5 1.0

Chlorine binding site 3 out of 8 in 6nvl

Go back to Chlorine Binding Sites List in 6nvl
Chlorine binding site 3 out of 8 in the FGFR1 Complex with N-(2-((5-((2,6-Dichloro-3,5-Dimethoxybenzyl)Oxy) Pyrimidin-2-Yl)Amino)-3-Methylphenyl)Acrylamide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of FGFR1 Complex with N-(2-((5-((2,6-Dichloro-3,5-Dimethoxybenzyl)Oxy) Pyrimidin-2-Yl)Amino)-3-Methylphenyl)Acrylamide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl802

b:56.5
occ:1.00
 CL1 B:XL6802 0.0 56.5 1.0
C2 B:XL6802 1.7 52.2 1.0
C3 B:XL6802 2.7 50.6 1.0
C1 B:XL6802 2.7 52.0 1.0
O1 B:XL6802 2.9 50.7 1.0
C9 B:XL6802 3.0 48.0 1.0
CB B:ALA640 3.1 35.8 1.0
O3 B:XL6802 3.3 46.5 1.0
CD1 B:LEU630 3.6 29.4 1.0
CA B:ALA640 3.7 35.7 1.0
C10 B:XL6802 3.9 43.7 1.0
C4 B:XL6802 4.0 52.9 1.0
C6 B:XL6802 4.0 53.0 1.0
CG1 B:ILE545 4.0 27.3 1.0
N B:ASP641 4.0 39.0 1.0
C7 B:XL6802 4.1 50.2 1.0
CG2 B:ILE545 4.2 27.2 1.0
OD2 B:ASP641 4.2 50.5 1.0
OD1 B:ASP641 4.3 46.1 1.0
CG B:ASP641 4.3 45.7 1.0
CB B:ILE545 4.3 27.3 1.0
C B:ALA640 4.4 37.6 1.0
C11 B:XL6802 4.5 42.1 1.0
CG B:LEU630 4.5 29.7 1.0
C5 B:XL6802 4.5 53.2 1.0
C13 B:XL6802 4.5 42.6 1.0
CD1 B:ILE545 4.8 27.0 1.0

Chlorine binding site 4 out of 8 in 6nvl

Go back to Chlorine Binding Sites List in 6nvl
Chlorine binding site 4 out of 8 in the FGFR1 Complex with N-(2-((5-((2,6-Dichloro-3,5-Dimethoxybenzyl)Oxy) Pyrimidin-2-Yl)Amino)-3-Methylphenyl)Acrylamide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of FGFR1 Complex with N-(2-((5-((2,6-Dichloro-3,5-Dimethoxybenzyl)Oxy) Pyrimidin-2-Yl)Amino)-3-Methylphenyl)Acrylamide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl802

b:57.6
occ:1.00
 CL2 B:XL6802 0.0 57.6 1.0
C4 B:XL6802 1.7 52.9 1.0
C3 B:XL6802 2.7 50.6 1.0
C5 B:XL6802 2.7 53.2 1.0
O2 B:XL6802 2.9 52.2 1.0
C9 B:XL6802 3.0 48.0 1.0
N B:LYS514 3.5 30.5 1.0
CB B:LYS514 3.5 33.5 1.0
CG2 B:VAL492 3.7 36.4 1.0
O3 B:XL6802 3.7 46.5 1.0
C B:VAL513 3.9 29.8 1.0
CA B:LYS514 3.9 32.0 1.0
CG2 B:VAL561 4.0 28.9 1.0
CG1 B:VAL492 4.0 37.4 1.0
C2 B:XL6802 4.0 52.2 1.0
C6 B:XL6802 4.0 53.0 1.0
C8 B:XL6802 4.3 52.1 1.0
O B:VAL513 4.3 29.0 1.0
N B:VAL513 4.3 28.3 1.0
CB B:ALA512 4.3 27.6 1.0
CE B:LYS514 4.3 39.7 1.0
C B:ALA512 4.4 27.5 1.0
CB B:VAL492 4.4 36.2 1.0
O B:ALA512 4.5 27.9 1.0
CA B:VAL513 4.5 29.2 1.0
C1 B:XL6802 4.5 52.0 1.0
O B:VAL559 4.6 26.6 1.0
CG B:LYS514 4.6 34.7 1.0
CA B:VAL492 4.9 36.9 1.0
CG1 B:VAL561 4.9 28.5 1.0
CD B:LYS514 4.9 36.6 1.0
C10 B:XL6802 4.9 43.7 1.0
CA B:ALA512 5.0 27.4 1.0

Chlorine binding site 5 out of 8 in 6nvl

Go back to Chlorine Binding Sites List in 6nvl
Chlorine binding site 5 out of 8 in the FGFR1 Complex with N-(2-((5-((2,6-Dichloro-3,5-Dimethoxybenzyl)Oxy) Pyrimidin-2-Yl)Amino)-3-Methylphenyl)Acrylamide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of FGFR1 Complex with N-(2-((5-((2,6-Dichloro-3,5-Dimethoxybenzyl)Oxy) Pyrimidin-2-Yl)Amino)-3-Methylphenyl)Acrylamide within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl801

b:54.4
occ:1.00
 CL1 C:XL6801 0.0 54.4 1.0
C2 C:XL6801 1.7 51.0 1.0
C1 C:XL6801 2.7 50.1 1.0
C3 C:XL6801 2.7 50.6 1.0
O1 C:XL6801 2.9 49.1 1.0
C9 C:XL6801 3.1 50.5 1.0
CB C:LYS514 3.6 49.9 1.0
CG2 C:VAL492 3.7 50.7 1.0
CG2 C:VAL561 3.7 31.3 1.0
O3 C:XL6801 3.7 50.4 1.0
CG1 C:VAL492 3.8 49.9 1.0
N C:LYS514 3.8 47.6 1.0
C6 C:XL6801 4.0 48.7 1.0
C4 C:XL6801 4.0 49.7 1.0
CB C:ALA512 4.1 38.9 1.0
C C:VAL513 4.1 45.4 1.0
C7 C:XL6801 4.1 48.5 1.0
CA C:LYS514 4.1 48.1 1.0
CB C:VAL492 4.3 50.7 1.0
C C:ALA512 4.3 39.4 1.0
O C:ALA512 4.4 39.6 1.0
N C:VAL513 4.4 40.9 1.0
CG C:LYS514 4.5 52.8 1.0
C5 C:XL6801 4.5 48.0 1.0
CD C:LYS514 4.5 54.5 1.0
O C:VAL513 4.5 47.0 1.0
CG1 C:VAL561 4.6 30.3 1.0
CA C:VAL513 4.7 43.2 1.0
CB C:VAL561 4.8 31.3 1.0
O C:VAL559 4.8 35.7 1.0
CA C:ALA512 4.9 39.1 1.0
CA C:VAL492 4.9 50.7 1.0
C10 C:XL6801 4.9 51.4 1.0

Chlorine binding site 6 out of 8 in 6nvl

Go back to Chlorine Binding Sites List in 6nvl
Chlorine binding site 6 out of 8 in the FGFR1 Complex with N-(2-((5-((2,6-Dichloro-3,5-Dimethoxybenzyl)Oxy) Pyrimidin-2-Yl)Amino)-3-Methylphenyl)Acrylamide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of FGFR1 Complex with N-(2-((5-((2,6-Dichloro-3,5-Dimethoxybenzyl)Oxy) Pyrimidin-2-Yl)Amino)-3-Methylphenyl)Acrylamide within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl801

b:52.0
occ:1.00
 CL2 C:XL6801 0.0 52.0 1.0
C4 C:XL6801 1.7 49.7 1.0
C5 C:XL6801 2.7 48.0 1.0
C3 C:XL6801 2.7 50.6 1.0
O2 C:XL6801 2.9 47.4 1.0
C9 C:XL6801 3.1 50.5 1.0
CB C:ALA640 3.3 30.1 1.0
O3 C:XL6801 3.5 50.4 1.0
N C:ASP641 3.9 35.1 1.0
CD1 C:LEU630 3.9 29.4 1.0
CA C:ALA640 3.9 30.4 1.0
C6 C:XL6801 4.0 48.7 1.0
CG1 C:ILE545 4.0 29.1 1.0
C2 C:XL6801 4.0 51.0 1.0
C10 C:XL6801 4.0 51.4 1.0
C8 C:XL6801 4.1 47.2 1.0
CG2 C:ILE545 4.2 28.4 1.0
CB C:ILE545 4.3 28.9 1.0
C C:ALA640 4.4 32.5 1.0
C1 C:XL6801 4.5 50.1 1.0
C13 C:XL6801 4.6 52.4 1.0
C11 C:XL6801 4.7 50.6 1.0
CG C:LEU630 4.8 28.8 1.0
CD1 C:ILE545 4.8 28.8 1.0
CA C:ASP641 4.9 37.1 1.0

Chlorine binding site 7 out of 8 in 6nvl

Go back to Chlorine Binding Sites List in 6nvl
Chlorine binding site 7 out of 8 in the FGFR1 Complex with N-(2-((5-((2,6-Dichloro-3,5-Dimethoxybenzyl)Oxy) Pyrimidin-2-Yl)Amino)-3-Methylphenyl)Acrylamide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of FGFR1 Complex with N-(2-((5-((2,6-Dichloro-3,5-Dimethoxybenzyl)Oxy) Pyrimidin-2-Yl)Amino)-3-Methylphenyl)Acrylamide within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl804

b:74.8
occ:1.00
 CL1 D:XL6804 0.0 74.8 1.0
C2 D:XL6804 1.7 72.6 1.0
C1 D:XL6804 2.7 71.6 1.0
C3 D:XL6804 2.7 71.7 1.0
O1 D:XL6804 2.8 70.7 1.0
C9 D:XL6804 3.0 69.2 1.0
O3 D:XL6804 3.1 68.7 1.0
CB D:ALA640 3.3 46.6 1.0
CD1 D:LEU630 3.8 39.3 1.0
CG1 D:ILE545 3.8 51.5 1.0
CG2 D:ILE545 3.8 49.5 1.0
C10 D:XL6804 3.9 65.8 1.0
CA D:ALA640 3.9 46.0 1.0
C6 D:XL6804 4.0 73.5 1.0
C4 D:XL6804 4.0 75.4 1.0
CB D:ILE545 4.1 50.0 1.0
OD1 D:ASP641 4.1 66.9 1.0
C7 D:XL6804 4.2 74.4 1.0
N D:ASP641 4.3 50.1 1.0
C11 D:XL6804 4.5 63.5 1.0
C5 D:XL6804 4.5 76.4 1.0
CD1 D:ILE545 4.6 51.9 1.0
C D:ALA640 4.6 47.4 1.0
C13 D:XL6804 4.7 66.4 1.0
CG D:LEU630 4.8 39.9 1.0

Chlorine binding site 8 out of 8 in 6nvl

Go back to Chlorine Binding Sites List in 6nvl
Chlorine binding site 8 out of 8 in the FGFR1 Complex with N-(2-((5-((2,6-Dichloro-3,5-Dimethoxybenzyl)Oxy) Pyrimidin-2-Yl)Amino)-3-Methylphenyl)Acrylamide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of FGFR1 Complex with N-(2-((5-((2,6-Dichloro-3,5-Dimethoxybenzyl)Oxy) Pyrimidin-2-Yl)Amino)-3-Methylphenyl)Acrylamide within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl804

b:79.8
occ:1.00
 CL2 D:XL6804 0.0 79.8 1.0
C4 D:XL6804 1.7 75.4 1.0
C5 D:XL6804 2.7 76.4 1.0
C3 D:XL6804 2.7 71.7 1.0
O2 D:XL6804 2.9 78.0 1.0
C9 D:XL6804 3.1 69.2 1.0
CB D:LYS514 3.4 64.9 1.0
N D:LYS514 3.6 60.6 1.0
C8 D:XL6804 3.6 77.6 1.0
CG2 D:VAL561 3.6 52.1 1.0
CA D:LYS514 3.9 64.5 1.0
O3 D:XL6804 3.9 68.7 1.0
CG2 D:VAL492 4.0 62.2 1.0
C2 D:XL6804 4.0 72.6 1.0
C6 D:XL6804 4.0 73.5 1.0
C D:VAL513 4.1 57.2 1.0
CG1 D:VAL492 4.4 62.6 1.0
O D:VAL513 4.5 59.0 1.0
C1 D:XL6804 4.5 71.6 1.0
O D:VAL559 4.6 59.0 1.0
N D:VAL513 4.7 52.2 1.0
CB D:VAL492 4.8 62.2 1.0
CA D:VAL513 4.8 54.3 1.0
C D:ALA512 4.8 50.9 1.0
CB D:ALA512 4.9 53.7 1.0
CG1 D:VAL561 4.9 53.4 1.0
O D:ALA512 4.9 49.4 1.0
CB D:VAL561 4.9 53.7 1.0
C10 D:XL6804 5.0 65.8 1.0

Reference:

X.Lin, Y.Yosaatmadja, M.Kalyukina, M.J.Middleditch, Z.Zhang, X.Lu, K.Ding, A.V.Patterson, J.B.Smaill, C.J.Squire. Rotational Freedom, Steric Hindrance, and Protein Dynamics Explain BLU554 Selectivity For the Hinge Cysteine of FGFR4. Acs Med.Chem.Lett. V. 10 1180 2019.
ISSN: ISSN 1948-5875
PubMed: 31413803
DOI: 10.1021/ACSMEDCHEMLETT.9B00196
Page generated: Sat Jul 12 17:30:08 2025

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy