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Chlorine in PDB 1pa1: Crystal Structure of the C215D Mutant of Protein Tyrosine Phosphatase 1B

Enzymatic activity of Crystal Structure of the C215D Mutant of Protein Tyrosine Phosphatase 1B

All present enzymatic activity of Crystal Structure of the C215D Mutant of Protein Tyrosine Phosphatase 1B:
3.1.3.48;

Protein crystallography data

The structure of Crystal Structure of the C215D Mutant of Protein Tyrosine Phosphatase 1B, PDB code: 1pa1 was solved by Y.Romsicki, G.Scapin, V.Beaulieu-Audy, S.B.Patel, J.W.Becker, B.Kennedy, E.Asante-Appiah, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 15.00 / 1.60
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 88.451, 88.451, 104.356, 90.00, 90.00, 120.00
R / Rfree (%) n/a / n/a

Other elements in 1pa1:

The structure of Crystal Structure of the C215D Mutant of Protein Tyrosine Phosphatase 1B also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the C215D Mutant of Protein Tyrosine Phosphatase 1B (pdb code 1pa1). 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 the C215D Mutant of Protein Tyrosine Phosphatase 1B, PDB code: 1pa1:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 1pa1

Go back to Chlorine Binding Sites List in 1pa1
Chlorine binding site 1 out of 6 in the Crystal Structure of the C215D Mutant of Protein Tyrosine Phosphatase 1B


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 the C215D Mutant of Protein Tyrosine Phosphatase 1B within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl5001

b:15.9
occ:1.00
 NH2 A:ARG545 3.1 13.9 1.0
N A:ALA622 3.5 10.9 1.0
NH1 A:ARG545 3.6 13.4 1.0
CD A:PRO589 3.7 15.3 1.0
C A:CYS621 3.7 12.2 1.0
CZ A:ARG545 3.8 12.9 1.0
CA A:ALA622 3.8 12.5 1.0
O A:CYS621 4.1 13.7 1.0
O A:LEU619 4.1 14.1 0.5
CB A:ALA622 4.1 13.3 1.0
O A:PRO587 4.1 11.3 0.4
CG A:PRO589 4.1 15.5 1.0
O A:PRO587 4.2 10.9 0.6
CA A:CYS621 4.2 12.6 1.0
N A:CYS621 4.3 11.3 1.0
CA A:LEU588 4.3 11.6 1.0
O A:LEU619 4.3 14.2 0.5
O A:HOH1022 4.4 20.4 1.0
CB A:LEU619 4.4 14.6 0.6
N A:PRO589 4.5 13.1 1.0
CD2 A:LEU588 4.5 12.2 1.0
CB A:LEU619 4.6 15.1 0.5
C A:LEU619 4.7 13.8 0.5
C A:LEU619 4.7 14.0 0.5
C A:LEU588 4.8 11.2 1.0
C A:LYS620 5.0 13.0 1.0

Chlorine binding site 2 out of 6 in 1pa1

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Chlorine binding site 2 out of 6 in the Crystal Structure of the C215D Mutant of Protein Tyrosine Phosphatase 1B


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 the C215D Mutant of Protein Tyrosine Phosphatase 1B within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl5002

b:23.6
occ:1.00
 O A:HOH1242 2.9 40.7 1.0
O A:HOH1084 3.1 20.6 1.0
N A:VAL613 3.2 12.2 1.0
O A:HOH1055 3.5 19.6 1.0
CE1 A:HIS675 3.5 12.8 1.0
CA A:ARG612 3.7 13.7 1.0
CG2 A:VAL613 3.9 14.2 1.0
C A:ARG612 3.9 12.3 1.0
CB A:VAL613 3.9 13.7 1.0
CB A:ARG612 4.0 15.3 1.0
NE2 A:HIS675 4.0 13.4 1.0
O A:HOH1160 4.1 28.4 1.0
CA A:VAL613 4.2 12.2 1.0
CG A:ARG612 4.3 17.7 1.0
O A:HOH1146 4.3 25.2 1.0
O A:HOH1237 4.5 40.6 1.0
CH2 A:TRP625 4.6 13.0 1.0
ND1 A:HIS675 4.7 14.0 1.0
CE A:MET609 4.8 12.7 1.0
CG2 A:THR677 4.8 18.2 0.2
O A:ASN611 4.9 11.4 1.0
N A:ARG612 5.0 12.5 1.0
CZ2 A:TRP625 5.0 12.9 1.0

Chlorine binding site 3 out of 6 in 1pa1

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Chlorine binding site 3 out of 6 in the Crystal Structure of the C215D Mutant of Protein Tyrosine Phosphatase 1B


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 the C215D Mutant of Protein Tyrosine Phosphatase 1B within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl5003

b:21.6
occ:1.00
 O A:HOH1034 3.0 31.0 1.0
N A:GLY617 3.1 18.5 1.0
N A:LYS616 3.6 17.0 1.0
CA A:GLY617 3.8 18.4 1.0
CG A:MET614 4.0 18.1 1.0
C A:LYS616 4.0 19.4 1.0
CA A:LYS616 4.0 19.0 1.0
C A:GLU615 4.2 15.2 1.0
SD A:MET614 4.2 22.9 1.0
O A:HOH1236 4.4 33.6 1.0
CA A:GLU615 4.5 13.7 1.0
O A:MET614 4.7 15.0 1.0
N A:GLU615 4.7 14.6 1.0
C A:MET614 4.8 14.5 1.0
O A:GLU615 4.9 14.9 1.0
C A:GLY617 5.0 18.9 1.0

Chlorine binding site 4 out of 6 in 1pa1

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Chlorine binding site 4 out of 6 in the Crystal Structure of the C215D Mutant of Protein Tyrosine Phosphatase 1B


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 the C215D Mutant of Protein Tyrosine Phosphatase 1B within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl5004

b:27.8
occ:1.00
 NE A:ARG524 3.0 27.2 1.0
NH2 A:ARG754 3.2 13.9 1.0
NH1 A:ARG754 3.3 15.0 1.0
O A:HOH1054 3.4 22.9 1.0
NE2 A:GLN762 3.6 18.9 1.0
CZ A:ARG754 3.7 13.8 1.0
CA A:GLY759 3.7 11.6 1.0
CD A:ARG524 3.7 24.6 1.0
OH A:TYR520 3.8 14.5 1.0
CG A:ARG524 4.0 22.5 1.0
CZ A:ARG524 4.0 30.1 1.0
NH2 A:ARG524 4.0 32.3 1.0
O A:GLY759 4.4 12.2 1.0
C A:GLY759 4.4 10.6 1.0
O A:ILE761 4.6 13.5 1.0
N A:GLY759 4.7 11.3 1.0
O A:HOH1295 4.7 36.8 1.0
CB A:ARG524 4.7 20.6 1.0
CD A:GLN762 4.8 20.2 1.0
CZ A:TYR520 4.8 16.8 1.0
O A:HOH1010 4.9 13.8 1.0
NE A:ARG754 4.9 13.3 1.0

Chlorine binding site 5 out of 6 in 1pa1

Go back to Chlorine Binding Sites List in 1pa1
Chlorine binding site 5 out of 6 in the Crystal Structure of the C215D Mutant of Protein Tyrosine Phosphatase 1B


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 the C215D Mutant of Protein Tyrosine Phosphatase 1B within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl5005

b:30.7
occ:1.00
 CA A:ASP681 3.0 24.9 0.1
O A:HOH1236 3.1 33.6 1.0
N A:ASP681 3.3 17.8 0.8
O A:ASP681 3.5 23.7 0.4
CB A:ASP681 3.6 26.4 0.4
NH2 A:ARG612 3.7 27.5 1.0
CB A:GLU615 3.7 15.3 1.0
C A:ASP681 3.7 24.2 0.5
CA A:PRO680 3.8 16.3 0.8
CB A:ASP681 3.8 20.8 0.8
CG A:GLU615 3.9 14.6 1.0
N A:ASP681 3.9 24.2 0.2
NH2 A:ARG721 3.9 16.6 0.2
CD A:GLU615 4.0 16.3 1.0
C A:PRO680 4.1 17.2 0.7
CB A:PRO680 4.1 16.9 0.8
CA A:ASP681 4.2 19.1 0.7
O A:PRO680 4.2 23.2 0.1
CG A:LYS616 4.2 23.9 1.0
OE1 A:GLU615 4.3 18.1 1.0
OE2 A:GLU615 4.4 15.1 1.0
C A:PRO680 4.4 23.4 0.2
CA A:GLU615 4.4 13.7 1.0
CE A:LYS616 4.5 29.7 1.0
O A:HOH1072 4.6 24.2 1.0
N A:LYS616 4.6 17.0 1.0
O A:TRP679 4.6 21.7 0.1
CD A:LYS616 4.8 26.9 1.0
C A:GLU615 4.8 15.2 1.0
O A:ASP681 4.9 17.0 0.7
CZ A:ARG612 4.9 27.4 1.0
CG A:PRO680 5.0 18.3 0.8

Chlorine binding site 6 out of 6 in 1pa1

Go back to Chlorine Binding Sites List in 1pa1
Chlorine binding site 6 out of 6 in the Crystal Structure of the C215D Mutant of Protein Tyrosine Phosphatase 1B


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 the C215D Mutant of Protein Tyrosine Phosphatase 1B within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl5006

b:32.4
occ:1.00
 N A:LYS539 3.3 21.1 1.0
CD A:PRO538 3.5 22.9 1.0
CG A:LYS539 3.5 25.6 1.0
CB A:LYS539 3.6 23.5 1.0
N A:PRO538 3.7 21.6 1.0
CB A:LEU537 3.9 19.4 1.0
CB A:PRO538 3.9 22.8 1.0
CA A:LYS539 4.0 21.4 1.0
CD A:LYS539 4.1 29.2 1.0
CA A:PRO538 4.1 22.3 1.0
CG A:PRO538 4.2 23.4 1.0
C A:PRO538 4.2 21.2 1.0
C A:LEU537 4.2 21.2 1.0
CA A:LEU537 4.5 19.4 1.0
CD2 A:LEU537 4.5 22.3 1.0
CG A:LEU537 4.7 17.7 1.0
CE A:LYS539 4.7 32.4 1.0
CD1 A:LEU537 4.9 20.8 1.0
O A:LEU537 5.0 18.9 1.0

Reference:

Y.Romsicki, G.Scapin, V.Beaulieu-Audy, S.Patel, J.W.Becker, B.P.Kennedy, E.Asante-Appiah. Functional Characterization and Crystal Structure of the C215D Mutant of Protein-Tyrosine Phosphatase-1B J.Biol.Chem. V. 278 29009 2003.
ISSN: ISSN 0021-9258
PubMed: 12748196
DOI: 10.1074/JBC.M303817200
Page generated: Sat Jul 20 01:09:46 2024

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