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Chlorine in PDB 5am6: Native FGFR1 with An Inhibitor

Enzymatic activity of Native FGFR1 with An Inhibitor

All present enzymatic activity of Native FGFR1 with An Inhibitor:
2.7.10.1;

Protein crystallography data

The structure of Native FGFR1 with An Inhibitor, PDB code: 5am6 was solved by T.D.Bunney, S.Wan, N.Thiyagarajan, L.Sutto, S.V.Williams, P.Ashford, H.Koss, M.A.Knowles, F.L.Gervasio, P.V.Coveney, M.Katan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.26 / 1.96
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 208.670, 57.590, 65.560, 90.00, 107.39, 90.00
R / Rfree (%) 21.367 / 25.179

Other elements in 5am6:

The structure of Native FGFR1 with An Inhibitor also contains other interesting chemical elements:

Fluorine (F) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Native FGFR1 with An Inhibitor (pdb code 5am6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Native FGFR1 with An Inhibitor, PDB code: 5am6:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 5am6

Go back to Chlorine Binding Sites List in 5am6
Chlorine binding site 1 out of 3 in the Native FGFR1 with An Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Native FGFR1 with An Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1765

b:54.7
occ:1.00
O A:HOH2086 2.9 33.6 1.0
NH1 A:ARG627 3.2 42.6 1.0
NH2 A:ARG661 3.3 48.4 1.0
NE A:ARG661 3.3 53.1 1.0
CZ A:ARG661 3.6 51.3 1.0
CD A:ARG570 3.7 52.5 1.0
NE A:ARG570 3.8 56.5 1.0
CD A:ARG627 3.9 39.2 1.0
CH2 A:TRP666 4.0 29.0 1.0
CB A:ARG627 4.1 35.5 1.0
CZ2 A:TRP666 4.3 28.0 1.0
CZ A:ARG627 4.3 41.6 1.0
CD A:ARG661 4.3 53.3 1.0
CG A:ARG627 4.4 38.4 1.0
O A:HOH2101 4.5 59.9 1.0
CB A:ARG661 4.5 50.3 1.0
OG1 A:THR657 4.5 70.5 1.0
NE A:ARG627 4.5 41.2 1.0
OE2 A:GLU692 4.6 33.6 1.0
CG2 A:THR657 4.7 70.2 1.0
NH1 A:ARG661 4.8 48.6 1.0
ND2 A:ASN659 4.9 77.0 1.0
CG A:ARG570 4.9 48.6 1.0
CZ3 A:TRP666 4.9 28.6 1.0
CZ A:ARG570 4.9 62.4 1.0
CB A:THR657 4.9 71.3 1.0
CG A:ARG661 5.0 51.8 1.0

Chlorine binding site 2 out of 3 in 5am6

Go back to Chlorine Binding Sites List in 5am6
Chlorine binding site 2 out of 3 in the Native FGFR1 with An Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Native FGFR1 with An Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1767

b:61.7
occ:1.00
O A:HOH2046 3.8 46.6 1.0
N A:LYS540 3.8 33.0 1.0
CB A:LYS540 4.2 38.7 1.0
CG A:LYS540 4.4 42.9 1.0
CA A:GLY539 4.4 30.0 1.0
C A:GLY539 4.7 32.7 1.0
CA A:LYS540 4.7 35.6 1.0
CD A:LYS540 4.7 47.4 1.0

Chlorine binding site 3 out of 3 in 5am6

Go back to Chlorine Binding Sites List in 5am6
Chlorine binding site 3 out of 3 in the Native FGFR1 with An Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Native FGFR1 with An Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1768

b:77.0
occ:1.00
OE2 A:GLU522 4.0 63.9 1.0
O A:VAL460 4.1 66.0 1.0
CA A:SER461 4.1 66.6 1.0
O A:GLY459 4.2 62.8 1.0
CD A:GLU522 4.2 62.1 1.0
C A:VAL460 4.3 64.9 1.0
O A:THR521 4.4 51.3 1.0
N A:SER461 4.4 64.3 1.0
CD2 A:LEU525 4.4 43.7 1.0
C A:THR521 4.5 53.9 1.0
C A:GLY459 4.5 67.7 1.0
O A:ALA520 4.5 54.8 1.0
OE1 A:GLU522 4.5 60.9 1.0
CB A:SER461 4.5 63.4 1.0
N A:GLU522 4.6 54.7 1.0
CA A:GLU522 4.7 56.0 1.0
CB A:LEU525 4.8 43.0 1.0
OG A:SER461 4.8 63.1 1.0
CG A:GLU522 4.8 59.1 1.0
CA A:GLY459 5.0 70.4 1.0
N A:VAL460 5.0 65.9 1.0

Reference:

T.Bunney, S.Wan, N.Thiyagarajan, L.Sutto, S.V.Williams, P.Ashford, H.Koss, M.A.Knowles, F.L.Gervasio, P.V.Coveney, M.Katan. The Effect of Mutations on Drug Sensitivity and Kinase Activity of Fibroblast Growth Factor Receptors: A Combined Experimental and Theoretical Study Ebiomedicine 2015.
ISSN: ESSN 2352-3964
DOI: 10.1016/J.EBIOM.2015.02.009
Page generated: Sat Dec 12 11:30:56 2020

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