Atomistry » Chlorine » PDB 3lnr-3lya » 3lvp
Atomistry »
  Chlorine »
    PDB 3lnr-3lya »
      3lvp »

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 Jul 20 23:41:08 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy