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Arsenic in PDB 1beh: Human Phosphatidylethanolamine Binding Protein in Complex with Cacodylate

Protein crystallography data

The structure of Human Phosphatidylethanolamine Binding Protein in Complex with Cacodylate, PDB code: 1beh was solved by M.J.Banfield, J.J.Barker, A.Perry, R.L.Brady, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.75
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 45.430, 61.630, 67.920, 90.00, 101.09, 90.00
R / Rfree (%) 23.5 / 28.6

Arsenic Binding Sites:

The binding sites of Arsenic atom in the Human Phosphatidylethanolamine Binding Protein in Complex with Cacodylate (pdb code 1beh). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 2 binding sites of Arsenic where determined in the Human Phosphatidylethanolamine Binding Protein in Complex with Cacodylate, PDB code: 1beh:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in 1beh

Go back to Arsenic Binding Sites List in 1beh
Arsenic binding site 1 out of 2 in the Human Phosphatidylethanolamine Binding Protein in Complex with Cacodylate


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Human Phosphatidylethanolamine Binding Protein in Complex with Cacodylate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As188

b:19.6
occ:1.00
AS A:CAC188 0.0 19.6 1.0
O2 A:CAC188 1.6 18.8 1.0
O1 A:CAC188 1.6 20.0 1.0
C2 A:CAC188 1.9 19.0 1.0
C1 A:CAC188 1.9 19.8 1.0
OD2 A:ASP70 3.3 16.6 1.0
NE2 A:HIS86 3.5 14.9 1.0
CE1 A:HIS86 3.7 15.9 1.0
OH A:TYR120 3.9 15.9 1.0
O A:GLY110 3.9 15.6 1.0
C A:GLY110 4.1 16.2 1.0
OH A:TYR181 4.1 19.9 1.0
N A:GLY110 4.1 15.6 1.0
CE1 A:TYR120 4.3 16.0 1.0
CG A:ASP70 4.4 17.2 1.0
CA A:GLY110 4.4 15.1 1.0
CD2 A:TRP84 4.5 15.5 1.0
CG A:TRP84 4.5 15.9 1.0
CZ A:TYR120 4.6 17.4 1.0
CB A:TRP84 4.6 14.1 1.0
CE3 A:TRP84 4.6 16.7 1.0
N A:PRO111 4.7 17.6 1.0
CB A:ASP70 4.8 16.7 1.0
CD2 A:HIS86 4.8 14.9 1.0

Arsenic binding site 2 out of 2 in 1beh

Go back to Arsenic Binding Sites List in 1beh
Arsenic binding site 2 out of 2 in the Human Phosphatidylethanolamine Binding Protein in Complex with Cacodylate


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Human Phosphatidylethanolamine Binding Protein in Complex with Cacodylate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:As188

b:28.1
occ:1.00
AS B:CAC188 0.0 28.1 1.0
O1 B:CAC188 1.6 25.8 1.0
O2 B:CAC188 1.6 23.7 1.0
C2 B:CAC188 1.9 25.0 1.0
C1 B:CAC188 2.0 25.2 1.0
OD2 B:ASP70 3.3 18.6 1.0
NE2 B:HIS86 3.6 15.6 1.0
CE1 B:HIS86 3.7 15.7 1.0
OH B:TYR120 3.9 16.9 1.0
O B:GLY110 4.0 16.8 1.0
C B:GLY110 4.1 15.1 1.0
N B:GLY110 4.2 14.1 1.0
OH B:TYR181 4.3 26.2 1.0
CE1 B:TYR120 4.4 16.4 1.0
CG B:ASP70 4.4 17.9 1.0
CA B:GLY110 4.6 14.5 1.0
N B:PRO111 4.6 16.3 1.0
CE3 B:TRP84 4.6 15.0 1.0
CZ B:TYR120 4.7 16.8 1.0
CD2 B:TRP84 4.7 17.8 1.0
CB B:ASP70 4.7 16.9 1.0
CG B:TRP84 4.8 16.4 1.0
CB B:ALA73 4.8 21.2 1.0
CB B:TRP84 4.8 16.4 1.0
ND1 B:HIS118 4.9 18.7 1.0
CD2 B:HIS86 4.9 16.4 1.0
CA B:PRO111 5.0 17.1 1.0

Reference:

M.J.Banfield, J.J.Barker, A.C.Perry, R.L.Brady. Function From Structure? the Crystal Structure of Human Phosphatidylethanolamine-Binding Protein Suggests A Role in Membrane Signal Transduction. Structure V. 6 1245 1998.
ISSN: ISSN 0969-2126
PubMed: 9782050
DOI: 10.1016/S0969-2126(98)00125-7
Page generated: Tue Oct 27 16:46:06 2020

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