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Chlorine in PDB 5gtz: Crystal Structure of Egfr 696-1022 T790M in Complex with Jts-1-39

Enzymatic activity of Crystal Structure of Egfr 696-1022 T790M in Complex with Jts-1-39

All present enzymatic activity of Crystal Structure of Egfr 696-1022 T790M in Complex with Jts-1-39:
2.7.10.1;

Protein crystallography data

The structure of Crystal Structure of Egfr 696-1022 T790M in Complex with Jts-1-39, PDB code: 5gtz was solved by X.E.Yan, C.H.Yun, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.20 / 3.00
Space group I 2 3
Cell size a, b, c (Å), α, β, γ (°) 146.177, 146.177, 146.177, 90.00, 90.00, 90.00
R / Rfree (%) 18.9 / 23

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Egfr 696-1022 T790M in Complex with Jts-1-39 (pdb code 5gtz). 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 Egfr 696-1022 T790M in Complex with Jts-1-39, PDB code: 5gtz:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 5gtz

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Chlorine binding site 1 out of 6 in the Crystal Structure of Egfr 696-1022 T790M in Complex with Jts-1-39


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 Egfr 696-1022 T790M in Complex with Jts-1-39 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1101

b:49.3
occ:1.00
 CL5 A:81C1101 0.0 49.3 1.0
C5 A:81C1101 1.8 49.6 1.0
C6 A:81C1101 2.7 46.3 1.0
C4 A:81C1101 2.8 47.5 1.0
NBE A:81C1101 2.9 49.5 1.0
CBR A:81C1101 3.4 74.0 1.0
CB A:ALA743 3.8 38.7 1.0
SD A:MET790 3.8 60.0 1.0
CE A:MET790 3.9 67.3 1.0
CAC A:81C1101 4.0 69.8 1.0
N3 A:81C1101 4.0 43.9 1.0
N1 A:81C1101 4.0 47.3 1.0
CG A:MET790 4.1 47.5 1.0
CAD A:81C1101 4.2 65.5 1.0
CBK A:81C1101 4.2 54.9 1.0
CB A:MET790 4.3 49.5 1.0
CD1 A:LEU844 4.5 47.5 1.0
C2 A:81C1101 4.5 48.0 1.0
SBV A:81C1101 4.7 66.0 1.0
O A:GLN791 4.8 43.0 1.0
CG1 A:VAL726 4.9 49.3 1.0
CBQ A:81C1101 4.9 57.7 1.0

Chlorine binding site 2 out of 6 in 5gtz

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Chlorine binding site 2 out of 6 in the Crystal Structure of Egfr 696-1022 T790M in Complex with Jts-1-39


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 Egfr 696-1022 T790M in Complex with Jts-1-39 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1106

b:79.6
occ:1.00
 CG A:ARG776 3.3 52.4 0.5
CG A:ARG776 3.4 52.4 0.5
NE A:ARG776 3.5 51.9 0.5
NH1 A:ARG776 3.6 58.0 0.5
CD2 A:LEU778 3.8 44.8 1.0
O A:TYR1016 3.8 50.5 1.0
CZ A:ARG776 3.8 57.8 0.5
O A:ALA1013 3.9 57.8 1.0
CD A:ARG776 4.0 51.3 0.5
NH2 A:ARG776 4.1 54.3 0.5
CZ A:ARG776 4.1 51.6 0.5
CD A:ARG776 4.2 51.0 0.5
CB A:ARG776 4.3 52.5 0.5
NE A:ARG776 4.4 53.2 0.5
CB A:ARG776 4.5 51.5 0.5
O A:HOH1239 4.5 63.6 1.0
NH1 A:ARG776 4.5 54.1 0.5
C A:ALA1013 4.8 53.4 1.0
CD1 A:LEU1017 4.9 53.0 1.0
NH2 A:ARG776 5.0 41.7 0.5
CB A:ALA1013 5.0 52.0 1.0
CG A:LEU778 5.0 43.0 1.0

Chlorine binding site 3 out of 6 in 5gtz

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Chlorine binding site 3 out of 6 in the Crystal Structure of Egfr 696-1022 T790M in Complex with Jts-1-39


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 Egfr 696-1022 T790M in Complex with Jts-1-39 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1107

b:84.4
occ:1.00
 N A:GLY721 3.9 94.3 1.0
CG2 A:VAL726 4.0 64.9 1.0
CA A:GLY721 4.1 98.0 1.0
O A:GLY724 4.2 99.2 1.0
OAI A:81C1101 4.3 71.6 1.0
C A:GLY724 4.5 96.9 1.0
O A:GLY719 4.5 65.3 1.0
C A:SER720 4.6 90.6 1.0
CAO A:81C1101 4.9 51.1 1.0
C A:GLY719 4.9 71.8 1.0
CA A:GLY724 4.9 0.9 1.0
N A:THR725 5.0 92.0 1.0

Chlorine binding site 4 out of 6 in 5gtz

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Chlorine binding site 4 out of 6 in the Crystal Structure of Egfr 696-1022 T790M in Complex with Jts-1-39


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 Egfr 696-1022 T790M in Complex with Jts-1-39 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1108

b:91.4
occ:1.00
 N A:GLY735 2.5 78.2 1.0
CA A:GLU734 2.9 88.5 1.0
C A:GLU734 3.2 85.0 1.0
O A:PRO733 3.3 74.3 1.0
CA A:GLY735 3.7 78.2 1.0
CG A:GLU734 3.7 80.5 1.0
CB A:GLU734 3.8 84.0 1.0
N A:GLU734 3.8 81.2 1.0
C A:PRO733 3.9 77.8 1.0
O A:HOH1227 4.0 71.6 1.0
O A:GLU734 4.4 82.2 1.0
N A:GLU736 4.6 81.9 1.0
C A:GLY735 4.6 82.3 1.0
O A:ILE732 4.7 65.3 1.0
CD A:GLU734 4.8 85.8 0.0
CG2 A:ILE732 4.8 63.5 1.0
OE1 A:GLU734 5.0 92.4 1.0

Chlorine binding site 5 out of 6 in 5gtz

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Chlorine binding site 5 out of 6 in the Crystal Structure of Egfr 696-1022 T790M in Complex with Jts-1-39


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 Egfr 696-1022 T790M in Complex with Jts-1-39 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1109

b:77.7
occ:1.00
 NZ A:LYS713 3.2 88.8 1.0
O A:THR710 3.6 58.3 1.0
CD1 A:ILE732 3.9 66.2 1.0
CE A:LYS713 4.3 94.8 1.0
O A:GLU711 4.5 53.4 1.0
C A:GLU711 4.6 53.0 1.0
N A:PHE712 4.6 50.6 1.0
CB A:LYS713 4.7 68.3 1.0
C A:PHE712 4.7 59.3 1.0
N A:LYS713 4.7 62.0 1.0
CA A:PHE712 4.7 53.9 1.0
C A:THR710 4.8 57.1 1.0

Chlorine binding site 6 out of 6 in 5gtz

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Chlorine binding site 6 out of 6 in the Crystal Structure of Egfr 696-1022 T790M in Complex with Jts-1-39


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 Egfr 696-1022 T790M in Complex with Jts-1-39 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1110

b:81.8
occ:1.00
 O A:HOH1246 4.0 46.9 1.0

Reference:

X.E.Yan, C.H.Yun. Crystal Structure of Egfr 696-1022 T790M in Complex with Jts-1-39 To Be Published.
Page generated: Fri Jul 26 08:34:05 2024

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