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Chlorine in PDB 3lvp: Crystal Structure of Bisphosphorylated IGF1-R Kinase Domain (2P) in Complex with A Bis-Azaindole Inhibitor

Enzymatic activity of Crystal Structure of Bisphosphorylated IGF1-R Kinase Domain (2P) in Complex with A Bis-Azaindole Inhibitor

All present enzymatic activity of Crystal Structure of Bisphosphorylated IGF1-R Kinase Domain (2P) in Complex with A Bis-Azaindole Inhibitor:
2.7.10.1;

Protein crystallography data

The structure of Crystal Structure of Bisphosphorylated IGF1-R Kinase Domain (2P) in Complex with A Bis-Azaindole Inhibitor, PDB code: 3lvp was solved by S.Maignan, J.P.Marquette, J.P.Guilloteau, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 3.00
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 94.950, 94.950, 322.290, 90.00, 90.00, 90.00
R / Rfree (%) 22.6 / 27.9

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Bisphosphorylated IGF1-R Kinase Domain (2P) in Complex with A Bis-Azaindole Inhibitor (pdb code 3lvp). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Bisphosphorylated IGF1-R Kinase Domain (2P) in Complex with A Bis-Azaindole Inhibitor, PDB code: 3lvp:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 3lvp

Go back to Chlorine Binding Sites List in 3lvp
Chlorine binding site 1 out of 4 in the Crystal Structure of Bisphosphorylated IGF1-R Kinase Domain (2P) in Complex with A Bis-Azaindole Inhibitor


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 Bisphosphorylated IGF1-R Kinase Domain (2P) in Complex with A Bis-Azaindole Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1

b:48.8
occ:1.00
 CL A:PDR1 0.0 48.8 1.0
C18 A:PDR1 1.8 40.3 1.0
C15 A:PDR1 2.8 39.6 1.0
C10 A:PDR1 2.8 38.2 1.0
C14 A:PDR1 3.3 36.0 1.0
CD A:LYS1033 3.4 47.9 0.0
CG A:LYS1033 3.9 47.5 1.0
CG1 A:VAL1013 4.0 55.1 1.0
C11 A:PDR1 4.1 37.5 1.0
C16 A:PDR1 4.1 37.9 1.0
CG2 A:VAL1013 4.1 56.2 1.0
CE A:LYS1033 4.5 48.0 0.0
N17 A:PDR1 4.6 36.9 1.0
CB A:VAL1013 4.7 56.4 1.0
C13 A:PDR1 4.7 34.7 1.0
NZ A:LYS1033 4.7 48.2 0.0

Chlorine binding site 2 out of 4 in 3lvp

Go back to Chlorine Binding Sites List in 3lvp
Chlorine binding site 2 out of 4 in the Crystal Structure of Bisphosphorylated IGF1-R Kinase Domain (2P) in Complex with A Bis-Azaindole Inhibitor


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 Bisphosphorylated IGF1-R Kinase Domain (2P) in Complex with A Bis-Azaindole Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl2

b:42.0
occ:1.00
 CL B:PDR2 0.0 42.0 1.0
C18 B:PDR2 1.7 32.5 1.0
C15 B:PDR2 2.7 31.9 1.0
C10 B:PDR2 2.8 30.9 1.0
C14 B:PDR2 3.3 28.3 1.0
CD B:LYS1033 3.5 32.4 1.0
CE B:MET1079 3.9 31.3 1.0
CG B:LYS1033 4.0 33.5 1.0
C16 B:PDR2 4.0 31.0 1.0
C11 B:PDR2 4.0 30.0 1.0
CG1 B:VAL1013 4.1 34.8 1.0
CG2 B:VAL1013 4.4 33.9 1.0
N17 B:PDR2 4.5 30.3 1.0
C13 B:PDR2 4.7 28.2 1.0
SD B:MET1142 4.8 38.3 1.0
CE B:LYS1033 4.8 32.4 1.0
CB B:VAL1013 4.9 34.8 1.0
CB B:LYS1033 4.9 33.0 1.0

Chlorine binding site 3 out of 4 in 3lvp

Go back to Chlorine Binding Sites List in 3lvp
Chlorine binding site 3 out of 4 in the Crystal Structure of Bisphosphorylated IGF1-R Kinase Domain (2P) in Complex with A Bis-Azaindole Inhibitor


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 Bisphosphorylated IGF1-R Kinase Domain (2P) in Complex with A Bis-Azaindole Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl3

b:51.7
occ:1.00
 CL C:PDR3 0.0 51.7 1.0
C18 C:PDR3 1.7 48.0 1.0
C15 C:PDR3 2.8 47.9 1.0
C10 C:PDR3 2.8 46.8 1.0
C14 C:PDR3 3.3 44.9 1.0
CG1 C:VAL1013 3.6 58.0 1.0
C11 C:PDR3 4.0 46.2 1.0
C16 C:PDR3 4.1 46.8 1.0
CE C:LYS1033 4.1 52.2 1.0
CG2 C:VAL1013 4.3 58.4 1.0
CB C:VAL1013 4.6 58.8 1.0
N17 C:PDR3 4.6 46.6 1.0
CG C:LYS1033 4.6 52.1 1.0
C13 C:PDR3 4.6 44.9 1.0
CD C:LYS1033 4.7 52.3 1.0
NZ C:LYS1033 4.8 53.3 1.0
CB C:ALA1031 4.9 58.3 1.0

Chlorine binding site 4 out of 4 in 3lvp

Go back to Chlorine Binding Sites List in 3lvp
Chlorine binding site 4 out of 4 in the Crystal Structure of Bisphosphorylated IGF1-R Kinase Domain (2P) in Complex with A Bis-Azaindole Inhibitor


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 Bisphosphorylated IGF1-R Kinase Domain (2P) in Complex with A Bis-Azaindole Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl4

b:60.9
occ:1.00
 CL D:PDR4 0.0 60.9 1.0
C18 D:PDR4 1.7 57.6 1.0
C15 D:PDR4 2.7 56.8 1.0
C10 D:PDR4 2.8 57.0 1.0
O D:HOH13 3.2 37.1 1.0
C14 D:PDR4 3.4 56.3 1.0
CD D:LYS1033 3.9 82.4 0.5
C16 D:PDR4 4.0 56.7 1.0
C11 D:PDR4 4.1 56.6 1.0
CE D:MET1079 4.1 70.3 1.0
CG D:LYS1033 4.3 82.8 0.5
CG1 D:VAL1013 4.5 89.0 1.0
N17 D:PDR4 4.6 57.0 1.0
CG2 D:VAL1013 4.7 88.9 1.0
C13 D:PDR4 4.7 56.0 1.0

Reference:

C.Nemecek, W.A.Metz, S.Wentzler, F.X.Ding, C.Venot, C.Souaille, A.Dagallier, S.Maignan, J.P.Guilloteau, F.Bernard, A.Henry, S.Grapinet, D.Lesuisse. Design of Potent IGF1-R Inhibitors Related to Bis-Azaindoles Chem.Biol.Drug Des. V. 76 100 2010.
ISSN: ISSN 1747-0277
PubMed: 20545947
DOI: 10.1111/J.1747-0285.2010.00991.X
Page generated: Sat Dec 12 09:53:52 2020

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