Chlorine in PDB 6p68: Crystal Structure of FGFR1-Y563C (FGFR4 Surrogate) Covalently Bound to Compound 22.

Enzymatic activity of Crystal Structure of FGFR1-Y563C (FGFR4 Surrogate) Covalently Bound to Compound 22.

All present enzymatic activity of Crystal Structure of FGFR1-Y563C (FGFR4 Surrogate) Covalently Bound to Compound 22.:
2.7.10.1;

Protein crystallography data

The structure of Crystal Structure of FGFR1-Y563C (FGFR4 Surrogate) Covalently Bound to Compound 22., PDB code: 6p68 was solved by N.A.Larsen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.28 / 2.90
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 192.500, 79.273, 96.718, 90.00, 110.53, 90.00
R / Rfree (%) 22.6 / 30.3

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of FGFR1-Y563C (FGFR4 Surrogate) Covalently Bound to Compound 22. (pdb code 6p68). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure of FGFR1-Y563C (FGFR4 Surrogate) Covalently Bound to Compound 22., PDB code: 6p68:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 6p68

Go back to Chlorine Binding Sites List in 6p68
Chlorine binding site 1 out of 6 in the Crystal Structure of FGFR1-Y563C (FGFR4 Surrogate) Covalently Bound to Compound 22.


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 FGFR1-Y563C (FGFR4 Surrogate) Covalently Bound to Compound 22. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl801

b:88.4
occ:1.00
 CL1 A:O1Y801 0.0 88.4 1.0
C13 A:O1Y801 1.5 79.7 1.0
C12 A:O1Y801 2.5 77.2 1.0
C8 A:O1Y801 2.5 78.3 1.0
O3 A:O1Y801 2.7 75.1 1.0
N5 A:O1Y801 2.9 82.0 1.0
C7 A:O1Y801 3.4 82.0 1.0
O1 A:O1Y801 3.5 85.8 1.0
C9 A:O1Y801 3.8 85.0 1.0
C11 A:O1Y801 3.8 71.9 1.0
CG2 A:VAL492 3.9 82.3 1.0
CB A:LYS514 4.0 75.6 1.0
CG2 A:VAL561 4.0 77.7 1.0
CG1 A:VAL492 4.0 90.1 1.0
C19 A:O1Y801 4.2 75.1 1.0
CB A:ALA512 4.2 81.4 1.0
O A:ALA512 4.2 94.4 1.0
C10 A:O1Y801 4.3 79.5 1.0
N4 A:O1Y801 4.3 83.0 1.0
N A:LYS514 4.4 82.3 1.0
C A:ALA512 4.4 82.3 1.0
CD A:LYS514 4.5 69.4 1.0
N2 A:O1Y801 4.5 98.7 1.0
C A:VAL513 4.6 81.2 1.0
CG1 A:VAL561 4.6 72.0 1.0
CA A:LYS514 4.6 74.9 1.0
CB A:VAL492 4.6 85.8 1.0
N A:VAL513 4.6 93.0 1.0
O A:VAL559 4.7 68.7 1.0
CG A:LYS514 4.9 70.4 1.0
CB A:VAL561 4.9 74.6 1.0
C5 A:O1Y801 4.9 95.1 1.0
CA A:ALA512 4.9 76.6 1.0
O A:VAL513 5.0 96.5 1.0
CA A:VAL513 5.0 84.9 1.0

Chlorine binding site 2 out of 6 in 6p68

Go back to Chlorine Binding Sites List in 6p68
Chlorine binding site 2 out of 6 in the Crystal Structure of FGFR1-Y563C (FGFR4 Surrogate) Covalently Bound to Compound 22.


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 FGFR1-Y563C (FGFR4 Surrogate) Covalently Bound to Compound 22. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl801

b:92.8
occ:1.00
 CL2 A:O1Y801 0.0 92.8 1.0
C9 A:O1Y801 1.6 85.0 1.0
C8 A:O1Y801 2.5 78.3 1.0
C10 A:O1Y801 2.6 79.5 1.0
N5 A:O1Y801 2.6 82.0 1.0
O2 A:O1Y801 2.8 84.7 1.0
CB A:ALA640 3.2 79.8 1.0
C7 A:O1Y801 3.3 82.0 1.0
OD1 A:ASP641 3.6 69.5 1.0
O1 A:O1Y801 3.8 85.8 1.0
N2 A:O1Y801 3.8 98.7 1.0
C13 A:O1Y801 3.8 79.7 1.0
C11 A:O1Y801 3.9 71.9 1.0
CG2 A:ILE545 3.9 66.1 1.0
CA A:ALA640 3.9 74.1 1.0
CG1 A:ILE545 3.9 65.5 1.0
N A:ASP641 4.0 68.0 1.0
N4 A:O1Y801 4.1 83.0 1.0
CD1 A:LEU630 4.1 71.2 1.0
CB A:ILE545 4.2 68.3 1.0
C15 A:O1Y801 4.3 83.5 1.0
C5 A:O1Y801 4.3 95.1 1.0
C12 A:O1Y801 4.3 77.2 1.0
C A:ALA640 4.5 75.0 1.0
CG A:ASP641 4.5 73.6 1.0
C6 A:O1Y801 4.5 84.8 1.0
CD1 A:ILE545 4.8 61.8 1.0
CA A:ASP641 5.0 76.4 1.0
CG A:LEU630 5.0 75.6 1.0

Chlorine binding site 3 out of 6 in 6p68

Go back to Chlorine Binding Sites List in 6p68
Chlorine binding site 3 out of 6 in the Crystal Structure of FGFR1-Y563C (FGFR4 Surrogate) Covalently Bound to Compound 22.


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 FGFR1-Y563C (FGFR4 Surrogate) Covalently Bound to Compound 22. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl801

b:92.9
occ:1.00
 CL1 B:O1Y801 0.0 92.9 1.0
C13 B:O1Y801 1.7 0.9 1.0
C8 B:O1Y801 2.7 0.2 1.0
C12 B:O1Y801 2.7 99.5 1.0
O3 B:O1Y801 2.9 95.4 1.0
N5 B:O1Y801 3.0 97.4 1.0
O1 B:O1Y801 3.3 0.5 1.0
C7 B:O1Y801 3.3 0.4 1.0
CB B:LYS514 3.7 90.4 1.0
CG1 B:VAL492 3.8 96.4 1.0
CG2 B:VAL492 3.8 92.3 1.0
CG2 B:VAL561 3.9 86.2 1.0
C9 B:O1Y801 3.9 0.3 1.0
C11 B:O1Y801 4.0 92.6 1.0
CD B:LYS514 4.1 83.6 1.0
N B:LYS514 4.1 88.6 1.0
CB B:ALA512 4.2 86.1 1.0
N4 B:O1Y801 4.2 0.9 1.0
CA B:LYS514 4.3 85.7 1.0
C19 B:O1Y801 4.3 86.7 1.0
CB B:VAL492 4.4 90.3 1.0
N B:VAL513 4.4 91.0 1.0
C10 B:O1Y801 4.5 93.8 1.0
C B:VAL513 4.5 90.3 1.0
CG B:LYS514 4.5 85.0 1.0
C B:ALA512 4.6 85.9 1.0
N2 B:O1Y801 4.7 0.9 1.0
CG1 B:VAL561 4.8 89.8 1.0
CA B:VAL513 4.9 88.8 1.0
O B:ALA512 4.9 81.6 1.0
C5 B:O1Y801 4.9 0.3 1.0
O B:VAL513 5.0 92.7 1.0

Chlorine binding site 4 out of 6 in 6p68

Go back to Chlorine Binding Sites List in 6p68
Chlorine binding site 4 out of 6 in the Crystal Structure of FGFR1-Y563C (FGFR4 Surrogate) Covalently Bound to Compound 22.


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 FGFR1-Y563C (FGFR4 Surrogate) Covalently Bound to Compound 22. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl801

b:0.1
occ:1.00
 CL2 B:O1Y801 0.0 0.1 1.0
C9 B:O1Y801 1.6 0.3 1.0
C8 B:O1Y801 2.6 0.2 1.0
C10 B:O1Y801 2.6 93.8 1.0
O2 B:O1Y801 2.8 97.0 1.0
N5 B:O1Y801 2.8 97.4 1.0
CB B:ALA640 3.4 84.9 1.0
C7 B:O1Y801 3.6 0.4 1.0
CG2 B:ILE545 3.6 71.1 1.0
CG1 B:ILE545 3.8 81.7 1.0
C13 B:O1Y801 3.9 0.9 1.0
C11 B:O1Y801 3.9 92.6 1.0
N B:ASP641 4.0 87.4 1.0
CB B:ILE545 4.0 75.0 1.0
O1 B:O1Y801 4.0 0.5 1.0
CA B:ALA640 4.0 83.2 1.0
N2 B:O1Y801 4.2 0.9 1.0
C15 B:O1Y801 4.2 0.5 1.0
CD1 B:LEU630 4.3 87.1 1.0
OD1 B:ASP641 4.4 0.9 1.0
C12 B:O1Y801 4.4 99.5 1.0
CD1 B:ILE545 4.4 79.4 1.0
N4 B:O1Y801 4.5 0.9 1.0
C B:ALA640 4.6 84.0 1.0
C5 B:O1Y801 4.7 0.3 1.0
CG B:ASP641 4.7 0.9 1.0
C6 B:O1Y801 5.0 97.4 1.0

Chlorine binding site 5 out of 6 in 6p68

Go back to Chlorine Binding Sites List in 6p68
Chlorine binding site 5 out of 6 in the Crystal Structure of FGFR1-Y563C (FGFR4 Surrogate) Covalently Bound to Compound 22.


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 FGFR1-Y563C (FGFR4 Surrogate) Covalently Bound to Compound 22. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl801

b:97.5
occ:1.00
 CL1 C:O1Y801 0.0 97.5 1.0
C13 C:O1Y801 1.6 0.9 1.0
C12 C:O1Y801 2.6 91.9 1.0
C8 C:O1Y801 2.6 0.4 1.0
O3 C:O1Y801 2.7 89.4 1.0
N5 C:O1Y801 2.9 0.8 1.0
O1 C:O1Y801 3.1 88.0 1.0
C7 C:O1Y801 3.2 0.6 1.0
CG1 C:VAL492 3.5 94.4 1.0
CG2 C:VAL561 3.8 84.2 1.0
C9 C:O1Y801 3.8 0.5 1.0
C11 C:O1Y801 3.9 99.1 1.0
CG2 C:VAL492 3.9 87.4 1.0
CB C:LYS514 3.9 86.5 1.0
CB C:ALA512 4.1 92.5 1.0
C19 C:O1Y801 4.2 88.0 1.0
N C:LYS514 4.2 91.5 1.0
N4 C:O1Y801 4.2 0.9 1.0
CB C:VAL492 4.3 90.3 1.0
C C:VAL513 4.3 85.0 1.0
C10 C:O1Y801 4.3 0.8 1.0
CD C:LYS514 4.4 0.9 1.0
CA C:LYS514 4.4 89.2 1.0
N C:VAL513 4.4 78.4 1.0
O C:VAL513 4.5 89.4 1.0
CG1 C:VAL561 4.6 80.3 1.0
C C:ALA512 4.6 85.4 1.0
N2 C:O1Y801 4.7 92.4 1.0
CG C:LYS514 4.8 94.3 1.0
CA C:VAL513 4.8 80.7 1.0
CB C:VAL561 4.9 83.9 1.0
C5 C:O1Y801 4.9 92.8 1.0

Chlorine binding site 6 out of 6 in 6p68

Go back to Chlorine Binding Sites List in 6p68
Chlorine binding site 6 out of 6 in the Crystal Structure of FGFR1-Y563C (FGFR4 Surrogate) Covalently Bound to Compound 22.


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 FGFR1-Y563C (FGFR4 Surrogate) Covalently Bound to Compound 22. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl801

b:0.3
occ:1.00
 CL2 C:O1Y801 0.0 0.3 1.0
C9 C:O1Y801 1.5 0.5 1.0
C8 C:O1Y801 2.4 0.4 1.0
C10 C:O1Y801 2.5 0.8 1.0
N5 C:O1Y801 2.7 0.8 1.0
O2 C:O1Y801 2.7 0.9 1.0
CB C:ALA640 3.4 95.1 1.0
C7 C:O1Y801 3.5 0.6 1.0
CG2 C:ILE545 3.6 90.9 1.0
C13 C:O1Y801 3.7 0.9 1.0
OD1 C:ASP641 3.7 0.5 1.0
C11 C:O1Y801 3.8 99.1 1.0
CG1 C:ILE545 3.9 97.5 1.0
CB C:ILE545 3.9 96.7 1.0
CA C:ALA640 3.9 90.6 1.0
N C:ASP641 3.9 98.1 1.0
N2 C:O1Y801 4.0 92.4 1.0
O1 C:O1Y801 4.1 88.0 1.0
C15 C:O1Y801 4.1 0.6 1.0
C12 C:O1Y801 4.2 91.9 1.0
N4 C:O1Y801 4.3 0.9 1.0
C5 C:O1Y801 4.5 92.8 1.0
CD1 C:LEU630 4.5 85.7 1.0
C C:ALA640 4.5 91.6 1.0
C6 C:O1Y801 4.7 88.3 1.0
CG C:ASP641 4.9 0.5 1.0
CD1 C:ILE545 4.9 96.6 1.0

Reference:

N.A.Larsen, N.A.Larsen. N/A N/A.
Page generated: Sat Dec 12 13:28:59 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy