Phosphorus in PDB 1aax: Crystal Structure of Protein Tyrosine Phosphatase 1B Complexed with Two Bis(Para-Phosphophenyl)Methane (Bppm) Molecules

Enzymatic activity of Crystal Structure of Protein Tyrosine Phosphatase 1B Complexed with Two Bis(Para-Phosphophenyl)Methane (Bppm) Molecules

All present enzymatic activity of Crystal Structure of Protein Tyrosine Phosphatase 1B Complexed with Two Bis(Para-Phosphophenyl)Methane (Bppm) Molecules:
3.1.3.48;

Protein crystallography data

The structure of Crystal Structure of Protein Tyrosine Phosphatase 1B Complexed with Two Bis(Para-Phosphophenyl)Methane (Bppm) Molecules, PDB code: 1aax was solved by Y.A.Puius, Y.Zhao, M.Sullivan, D.Lawrence, S.C.Almo, Z.-Y.Zhang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 22.00 / 1.90
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 88.369, 88.369, 104.532, 90.00, 90.00, 120.00
R / Rfree (%) 18.2 / n/a

Phosphorus Binding Sites:

The binding sites of Phosphorus atom in the Crystal Structure of Protein Tyrosine Phosphatase 1B Complexed with Two Bis(Para-Phosphophenyl)Methane (Bppm) Molecules (pdb code 1aax). This binding sites where shown within 5.0 Angstroms radius around Phosphorus atom.
In total 4 binding sites of Phosphorus where determined in the Crystal Structure of Protein Tyrosine Phosphatase 1B Complexed with Two Bis(Para-Phosphophenyl)Methane (Bppm) Molecules, PDB code: 1aax:
Jump to Phosphorus binding site number: 1; 2; 3; 4;

Phosphorus binding site 1 out of 4 in 1aax

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Phosphorus binding site 1 out of 4 in the Crystal Structure of Protein Tyrosine Phosphatase 1B Complexed with Two Bis(Para-Phosphophenyl)Methane (Bppm) Molecules


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 1 of Crystal Structure of Protein Tyrosine Phosphatase 1B Complexed with Two Bis(Para-Phosphophenyl)Methane (Bppm) Molecules within 5.0Å range:
probe atom residue distance (Å) B Occ
A:P402

b:2.7
occ:0.54
 PA A:BPM402 0.0 2.7 0.5
O3A A:BPM402 1.4 3.7 0.5
O4A A:BPM402 1.4 2.0 0.5
O2A A:BPM402 1.4 2.3 0.5
O1A A:BPM402 1.5 2.8 0.5
C4A A:BPM402 2.5 2.5 0.5
C3A A:BPM402 3.3 4.1 0.5
OG A:SER215 3.4 17.7 1.0
O A:HOH528 3.5 20.0 1.0
C5A A:BPM402 3.5 3.1 0.5
CB A:SER215 3.7 16.0 1.0
N A:GLY220 3.8 19.7 1.0
NE A:ARG221 3.8 15.6 1.0
NH2 A:ARG221 3.8 13.3 1.0
N A:ALA217 3.9 11.9 1.0
N A:ARG221 4.1 15.2 1.0
CA A:GLY220 4.1 15.9 1.0
N A:SER216 4.1 14.6 1.0
CB A:ALA217 4.2 13.2 1.0
CZ A:ARG221 4.3 15.2 1.0
N A:GLY218 4.4 15.9 1.0
N A:ILE219 4.6 14.9 1.0
CA A:ALA217 4.6 13.1 1.0
C2A A:BPM402 4.6 4.4 0.5
C A:GLY220 4.7 15.1 1.0
C6A A:BPM402 4.8 3.7 0.5
CB A:SER216 4.8 9.7 1.0
CG A:ARG221 4.8 16.0 1.0
CA A:SER216 4.9 11.4 1.0
C A:SER216 4.9 12.6 1.0
CA A:SER215 4.9 15.7 1.0
CB A:ARG221 4.9 15.4 1.0
C A:ILE219 4.9 16.9 1.0
CD A:ARG221 4.9 14.7 1.0
C A:SER215 4.9 15.2 1.0
C A:ALA217 5.0 15.1 1.0
CG1 A:ILE219 5.0 16.4 1.0

Phosphorus binding site 2 out of 4 in 1aax

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Phosphorus binding site 2 out of 4 in the Crystal Structure of Protein Tyrosine Phosphatase 1B Complexed with Two Bis(Para-Phosphophenyl)Methane (Bppm) Molecules


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 2 of Crystal Structure of Protein Tyrosine Phosphatase 1B Complexed with Two Bis(Para-Phosphophenyl)Methane (Bppm) Molecules within 5.0Å range:
probe atom residue distance (Å) B Occ
A:P402

b:27.2
occ:0.54
 PB A:BPM402 0.0 27.2 0.5
O3B A:BPM403 1.4 41.4 0.5
O2B A:BPM402 1.5 31.0 0.5
O4B A:BPM402 1.5 28.6 0.5
O3B A:BPM402 1.5 31.3 0.5
O1B A:BPM402 1.5 25.3 0.5
O4B A:BPM403 1.5 39.9 0.5
PB A:BPM403 1.6 41.1 0.5
O2B A:BPM403 2.5 41.5 0.5
C4B A:BPM402 2.7 17.9 0.5
O1B A:BPM403 2.9 32.2 0.5
C5B A:BPM402 3.3 14.7 0.5
C3B A:BPM402 3.8 15.8 0.5
C4B A:BPM403 3.9 26.8 0.5
O A:HOH708 4.1 45.9 1.0
C5B A:BPM403 4.3 23.9 0.5
C6B A:BPM402 4.7 13.2 0.5
C3B A:BPM403 4.8 25.3 0.5

Phosphorus binding site 3 out of 4 in 1aax

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Phosphorus binding site 3 out of 4 in the Crystal Structure of Protein Tyrosine Phosphatase 1B Complexed with Two Bis(Para-Phosphophenyl)Methane (Bppm) Molecules


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 3 of Crystal Structure of Protein Tyrosine Phosphatase 1B Complexed with Two Bis(Para-Phosphophenyl)Methane (Bppm) Molecules within 5.0Å range:
probe atom residue distance (Å) B Occ
A:P403

b:12.5
occ:0.46
 PA A:BPM403 0.0 12.5 0.5
O3A A:BPM403 1.4 10.3 0.5
O4A A:BPM403 1.4 9.4 0.5
O2A A:BPM403 1.5 13.4 0.5
O1A A:BPM403 1.5 9.8 0.5
C4A A:BPM403 2.5 9.5 0.5
C5A A:BPM403 3.0 10.2 0.5
O A:HOH520 3.5 17.8 1.0
O A:HOH529 3.7 24.1 1.0
NH1 A:ARG254 3.7 17.2 1.0
NH2 A:ARG24 3.7 45.7 1.0
C3A A:BPM403 3.7 9.1 0.5
NE A:ARG24 3.9 35.4 1.0
CZ A:ARG24 4.3 43.9 1.0
C6A A:BPM403 4.4 13.1 0.5
N A:GLY259 4.6 17.2 1.0
O A:ARG24 4.7 32.2 1.0
CA A:GLY259 4.7 17.6 1.0
CB A:ARG24 4.8 27.0 1.0
O A:HOH679 4.8 37.4 1.0
CZ A:ARG254 4.8 20.1 1.0
C2A A:BPM403 4.9 9.7 0.5

Phosphorus binding site 4 out of 4 in 1aax

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Phosphorus binding site 4 out of 4 in the Crystal Structure of Protein Tyrosine Phosphatase 1B Complexed with Two Bis(Para-Phosphophenyl)Methane (Bppm) Molecules


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 4 of Crystal Structure of Protein Tyrosine Phosphatase 1B Complexed with Two Bis(Para-Phosphophenyl)Methane (Bppm) Molecules within 5.0Å range:
probe atom residue distance (Å) B Occ
A:P403

b:41.1
occ:0.46
 PB A:BPM403 0.0 41.1 0.5
O3B A:BPM402 1.3 31.3 0.5
O1B A:BPM403 1.5 32.2 0.5
O4B A:BPM403 1.5 39.9 0.5
O3B A:BPM403 1.5 41.4 0.5
O2B A:BPM403 1.5 41.5 0.5
PB A:BPM402 1.6 27.2 0.5
O1B A:BPM402 1.6 25.3 0.5
C4B A:BPM402 2.3 17.9 0.5
C4B A:BPM403 2.3 26.8 0.5
O4B A:BPM402 2.7 28.6 0.5
O2B A:BPM402 2.8 31.0 0.5
C3B A:BPM402 3.0 15.8 0.5
C5B A:BPM403 3.0 23.9 0.5
C3B A:BPM403 3.2 25.3 0.5
C5B A:BPM402 3.2 14.7 0.5
O A:HOH708 4.0 45.9 1.0
C2B A:BPM402 4.2 12.8 0.5
C6B A:BPM403 4.3 22.4 0.5
C2B A:BPM403 4.4 24.7 0.5
C6B A:BPM402 4.4 13.2 0.5
C1B A:BPM403 4.8 21.8 0.5
C1B A:BPM402 4.8 11.4 0.5

Reference:

Y.A.Puius, Y.Zhao, M.Sullivan, D.S.Lawrence, S.C.Almo, Z.Y.Zhang. Identification of A Second Aryl Phosphate-Binding Site in Protein-Tyrosine Phosphatase 1B: A Paradigm For Inhibitor Design. Proc.Natl.Acad.Sci.Usa V. 94 13420 1997.
ISSN: ISSN 0027-8424
PubMed: 9391040
DOI: 10.1073/PNAS.94.25.13420
Page generated: Fri Sep 25 12:41:49 2020

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