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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

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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

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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: Mon Jul 29 13:09:03 2024

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