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Arsenic in PDB 1ob1: Crystal Structure of A Fab Complex Whith Plasmodium Falciparum MSP1-19

Protein crystallography data

The structure of Crystal Structure of A Fab Complex Whith Plasmodium Falciparum MSP1-19, PDB code: 1ob1 was solved by J.C.Pizarro, V.Chitarra, D.Verger, I.Holm, S.Petres, S.Dartville, F.Nato, S.Longacre, G.A.Bentley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 105.41 / 2.90
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 51.750, 213.460, 59.890, 90.00, 100.95, 90.00
R / Rfree (%) 25.7 / 28.8

Arsenic Binding Sites:

The binding sites of Arsenic atom in the Crystal Structure of A Fab Complex Whith Plasmodium Falciparum MSP1-19 (pdb code 1ob1). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 2 binding sites of Arsenic where determined in the Crystal Structure of A Fab Complex Whith Plasmodium Falciparum MSP1-19, PDB code: 1ob1:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in 1ob1

Go back to Arsenic Binding Sites List in 1ob1
Arsenic binding site 1 out of 2 in the Crystal Structure of A Fab Complex Whith Plasmodium Falciparum MSP1-19


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Crystal Structure of A Fab Complex Whith Plasmodium Falciparum MSP1-19 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:As1096

b:79.8
occ:1.00
AS C:CAC1096 0.0 79.8 1.0
O1 C:CAC1096 1.8 20.0 0.0
O2 C:CAC1096 1.9 20.0 0.0
C2 C:CAC1096 1.9 20.0 0.0
C1 C:CAC1096 2.0 20.0 0.0
NE2 C:GLN36 3.7 11.8 1.0
OH B:TYR97 4.3 14.5 1.0
NH2 B:ARG98 4.5 10.3 0.5
O C:CYS28 4.5 9.9 1.0
CB C:CYS28 4.5 9.8 1.0
CG C:GLN36 4.6 11.4 1.0
SG C:CYS30 4.6 8.2 1.0
CD C:GLN36 4.6 12.0 1.0
SG C:CYS41 4.6 8.5 1.0
C C:CYS28 4.7 9.8 1.0
CE2 B:TYR97 4.8 12.9 1.0
CB C:GLN36 4.8 10.9 1.0
CZ B:TYR97 5.0 12.4 1.0
NH1 B:ARG98 5.0 9.8 0.5

Arsenic binding site 2 out of 2 in 1ob1

Go back to Arsenic Binding Sites List in 1ob1
Arsenic binding site 2 out of 2 in the Crystal Structure of A Fab Complex Whith Plasmodium Falciparum MSP1-19


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Crystal Structure of A Fab Complex Whith Plasmodium Falciparum MSP1-19 within 5.0Å range:
probe atom residue distance (Å) B Occ
F:As1097

b:76.6
occ:1.00
AS F:CAC1097 0.0 76.6 1.0
O1 F:CAC1097 1.8 20.0 0.0
O2 F:CAC1097 1.9 20.0 0.0
C1 F:CAC1097 2.0 20.0 0.0
C2 F:CAC1097 2.0 20.0 0.0
NE2 F:GLN36 3.6 11.9 1.0
OH E:TYR97 4.4 14.4 1.0
NH2 E:ARG98 4.4 12.1 1.0
CG F:GLN36 4.4 11.4 1.0
CD F:GLN36 4.4 12.0 1.0
CB F:GLN36 4.6 10.9 1.0
O F:CYS28 4.6 9.8 1.0
SG F:CYS30 4.7 8.3 1.0
CB F:CYS28 4.7 9.6 1.0
SG F:CYS41 4.7 8.4 1.0
NH1 E:ARG98 4.7 13.8 1.0
CE2 E:TYR97 4.9 12.8 1.0
C F:CYS28 4.9 9.7 1.0
CZ E:ARG98 5.0 13.2 1.0

Reference:

J.C.Pizarro, V.Chitarra, D.Verger, I.Holm, S.Petres, S.Dartville, F.Nato, S.Longacre, G.A.Bentley. Crystal Structure of A Fab Complex Formed with PFMSP1-19, the C-Terminal Fragment of Merozoite Surface Protein 1 From Plasmodium Falciparum: A Malaria Vaccine Candidate J.Mol.Biol. V. 328 1091 2003.
ISSN: ISSN 0022-2836
PubMed: 12729744
DOI: 10.1016/S0022-2836(03)00376-0
Page generated: Tue Oct 27 16:47:00 2020

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