Chlorine in PDB 8eya: Crystal Structure of PTP1B D181A/Q262A/C215A Phosphatase Domain with A JAK2 Activation Loop Phosphopeptide

Enzymatic activity of Crystal Structure of PTP1B D181A/Q262A/C215A Phosphatase Domain with A JAK2 Activation Loop Phosphopeptide

All present enzymatic activity of Crystal Structure of PTP1B D181A/Q262A/C215A Phosphatase Domain with A JAK2 Activation Loop Phosphopeptide:
2.7.10.2; 3.1.3.48;

Protein crystallography data

The structure of Crystal Structure of PTP1B D181A/Q262A/C215A Phosphatase Domain with A JAK2 Activation Loop Phosphopeptide, PDB code: 8eya was solved by R.Morris, N.J.Kershaw, J.J.Babon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.42 / 2.10
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 88.833, 88.833, 197.456, 90, 90, 120
R / Rfree (%) 22.1 / 26

Other elements in 8eya:

The structure of Crystal Structure of PTP1B D181A/Q262A/C215A Phosphatase Domain with A JAK2 Activation Loop Phosphopeptide also contains other interesting chemical elements:

Sodium (Na) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of PTP1B D181A/Q262A/C215A Phosphatase Domain with A JAK2 Activation Loop Phosphopeptide (pdb code 8eya). 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 PTP1B D181A/Q262A/C215A Phosphatase Domain with A JAK2 Activation Loop Phosphopeptide, PDB code: 8eya:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 8eya

Go back to Chlorine Binding Sites List in 8eya
Chlorine binding site 1 out of 4 in the Crystal Structure of PTP1B D181A/Q262A/C215A Phosphatase Domain with A JAK2 Activation Loop Phosphopeptide


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 PTP1B D181A/Q262A/C215A Phosphatase Domain with A JAK2 Activation Loop Phosphopeptide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl403

b:65.6
occ:1.00
 CD A:PRO38 3.2 62.5 1.0
N A:LYS39 3.2 57.2 1.0
CG A:LYS39 3.5 58.0 1.0
N A:PRO38 3.6 61.6 1.0
CB A:LYS39 3.6 57.4 1.0
CG A:PRO38 3.8 61.1 1.0
CB A:PRO38 3.8 57.9 1.0
CA A:LYS39 4.0 56.5 1.0
CA A:PRO38 4.0 57.6 1.0
C A:PRO38 4.1 58.7 1.0
CD A:LYS39 4.1 63.8 1.0
CB A:LEU37 4.1 53.1 1.0
C A:LEU37 4.3 60.3 1.0
CA A:LEU37 4.6 53.7 1.0
CD2 A:LEU37 4.7 52.0 1.0
CE A:LYS39 4.8 61.1 1.0
CG A:LEU37 4.9 52.3 1.0

Chlorine binding site 2 out of 4 in 8eya

Go back to Chlorine Binding Sites List in 8eya
Chlorine binding site 2 out of 4 in the Crystal Structure of PTP1B D181A/Q262A/C215A Phosphatase Domain with A JAK2 Activation Loop Phosphopeptide


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 PTP1B D181A/Q262A/C215A Phosphatase Domain with A JAK2 Activation Loop Phosphopeptide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl404

b:62.6
occ:1.00
 O A:HOH557 3.0 41.9 1.0
NH2 A:ARG254 3.2 50.4 1.0
NE A:ARG24 3.2 51.5 1.0
NH1 A:ARG254 3.3 39.4 1.0
O A:HOH505 3.4 53.3 1.0
CZ A:ARG254 3.7 46.0 1.0
CA A:GLY259 3.8 38.4 1.0
CG A:ARG24 3.9 54.5 1.0
CD A:ARG24 3.9 55.2 1.0
OH A:TYR20 3.9 49.1 1.0
CZ A:ARG24 4.2 62.8 1.0
NH2 A:ARG24 4.3 52.1 1.0
O A:GLY259 4.4 49.4 1.0
C A:GLY259 4.5 42.3 1.0
O A:ILE261 4.6 43.0 1.0
N A:GLY259 4.7 41.8 1.0
CB A:ARG24 4.7 52.2 1.0
CZ A:TYR20 4.8 49.5 1.0
O A:HOH517 4.8 37.1 1.0

Chlorine binding site 3 out of 4 in 8eya

Go back to Chlorine Binding Sites List in 8eya
Chlorine binding site 3 out of 4 in the Crystal Structure of PTP1B D181A/Q262A/C215A Phosphatase Domain with A JAK2 Activation Loop Phosphopeptide


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 PTP1B D181A/Q262A/C215A Phosphatase Domain with A JAK2 Activation Loop Phosphopeptide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl405

b:60.5
occ:1.00
 N A:LYS116 3.0 54.1 1.0
O A:HOH510 3.1 52.5 1.0
NH2 A:ARG112 3.6 47.6 1.0
CB B:GLU293 3.6 47.5 1.0
NH1 A:ARG112 3.6 46.6 1.0
CA A:LYS116 3.7 57.2 1.0
CG B:GLU293 3.7 54.6 1.0
CA B:GLN290 3.8 48.4 1.0
CG B:GLN290 4.0 55.3 1.0
C A:GLU115 4.0 52.6 1.0
CZ A:ARG112 4.1 50.5 1.0
CB B:GLN290 4.1 50.4 1.0
CA A:GLU115 4.1 51.0 1.0
N B:GLN290 4.5 47.1 1.0
O B:GLN290 4.6 47.8 1.0
N A:GLY117 4.6 56.9 1.0
O B:ASP289 4.6 53.0 1.0
CG A:LYS116 4.6 50.6 1.0
C A:LYS116 4.7 54.8 1.0
C B:GLN290 4.7 49.3 1.0
CB A:LYS116 4.8 55.7 1.0
O A:MET114 4.8 47.6 1.0
C B:ASP289 4.9 51.9 1.0
CD B:GLN290 4.9 56.5 1.0
CD B:GLU293 5.0 67.1 1.0

Chlorine binding site 4 out of 4 in 8eya

Go back to Chlorine Binding Sites List in 8eya
Chlorine binding site 4 out of 4 in the Crystal Structure of PTP1B D181A/Q262A/C215A Phosphatase Domain with A JAK2 Activation Loop Phosphopeptide


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 PTP1B D181A/Q262A/C215A Phosphatase Domain with A JAK2 Activation Loop Phosphopeptide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl402

b:63.1
occ:1.00
 NH2 B:ARG254 2.8 44.2 1.0
NH1 B:ARG254 3.0 42.1 1.0
O B:HOH502 3.1 43.1 1.0
CZ B:ARG254 3.3 44.3 1.0
NE B:ARG24 3.4 63.4 1.0
CA B:GLY259 3.5 44.1 1.0
CG B:ARG24 3.7 58.5 1.0
CD B:ARG24 3.9 57.0 1.0
OH B:TYR20 4.1 48.2 1.0
O B:GLY259 4.2 42.2 1.0
C B:GLY259 4.2 42.1 1.0
O B:HOH525 4.3 43.8 1.0
CZ B:ARG24 4.4 69.8 1.0
N B:GLY259 4.4 46.8 1.0
O B:ILE261 4.6 44.6 1.0
CB B:ARG24 4.6 52.8 1.0
NE B:ARG254 4.6 35.9 1.0
NH2 B:ARG24 4.7 68.9 1.0
CZ B:TYR20 4.9 50.6 1.0

Reference:

R.Morris, N.Keating, C.Tan, H.Chen, A.Laktyushin, T.Saiyed, N.P.D.Liau, N.A.Nicola, T.Tiganis, N.J.Kershaw, J.J.Babon. Structure Guided Studies of the Interaction Between PTP1B and Jak. Commun Biol V. 6 641 2023.
ISSN: ESSN 2399-3642
PubMed: 37316570
DOI: 10.1038/S42003-023-05020-9
Page generated: Tue Jul 30 09:05:17 2024

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