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Arsenic in PDB 4d7l: Methionine Sulfoxide Reductase A of Corynebacterium Diphtheriae

Protein crystallography data

The structure of Methionine Sulfoxide Reductase A of Corynebacterium Diphtheriae, PDB code: 4d7l was solved by I.Van Molle, M.A.Tossounian, B.Pedre, K.Wahni, D.Vertommen, J.Messens, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.291 / 1.90
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 86.395, 140.175, 140.551, 90.00, 90.00, 90.00
R / Rfree (%) 15.36 / 19.03

Arsenic Binding Sites:

The binding sites of Arsenic atom in the Methionine Sulfoxide Reductase A of Corynebacterium Diphtheriae (pdb code 4d7l). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 3 binding sites of Arsenic where determined in the Methionine Sulfoxide Reductase A of Corynebacterium Diphtheriae, PDB code: 4d7l:
Jump to Arsenic binding site number: 1; 2; 3;

Arsenic binding site 1 out of 3 in 4d7l

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Arsenic binding site 1 out of 3 in the Methionine Sulfoxide Reductase A of Corynebacterium Diphtheriae


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Methionine Sulfoxide Reductase A of Corynebacterium Diphtheriae within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As1220

b:22.0
occ:0.87
AS A:CAC1220 0.0 22.0 0.9
O2 A:CAC1220 1.7 21.2 0.9
O1 A:CAC1220 1.7 17.0 0.9
C1 A:CAC1220 2.0 20.5 0.9
C2 A:CAC1220 2.0 15.9 0.9
OH A:TYR83 3.2 22.6 1.0
O A:HOH2172 3.4 26.6 1.0
OE1 A:GLU95 3.8 20.6 1.0
OE2 A:GLU95 3.8 19.9 1.0
SG A:CYS52 3.9 23.6 0.6
OH A:TYR135 3.9 22.0 1.0
SG A:CYS52 4.1 20.6 0.4
CD A:GLU95 4.3 21.6 1.0
CZ A:TYR83 4.4 23.2 1.0
CE1 A:TYR135 4.4 22.6 1.0
CB A:CYS52 4.5 22.7 0.6
CB A:CYS52 4.6 22.9 0.4
CD A:PRO207 4.6 17.0 1.0
CE1 A:TYR83 4.6 20.2 1.0
CE2 A:TRP54 4.6 16.2 1.0
CA A:CYS52 4.7 16.1 0.6
CZ2 A:TRP54 4.7 17.9 1.0
CA A:CYS52 4.7 17.9 0.4
CZ A:TYR135 4.7 18.6 1.0
CD2 A:TRP54 4.8 17.1 1.0
CH2 A:TRP54 4.8 21.3 1.0
CG A:PRO207 4.9 21.4 1.0
CE3 A:TRP54 4.9 15.3 1.0
CZ3 A:TRP54 4.9 19.2 1.0

Arsenic binding site 2 out of 3 in 4d7l

Go back to Arsenic Binding Sites List in 4d7l
Arsenic binding site 2 out of 3 in the Methionine Sulfoxide Reductase A of Corynebacterium Diphtheriae


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Methionine Sulfoxide Reductase A of Corynebacterium Diphtheriae within 5.0Å range:
probe atom residue distance (Å) B Occ
B:As1220

b:25.3
occ:0.84
AS B:CAC1220 0.0 25.3 0.8
O2 B:CAC1220 1.7 20.9 0.8
O1 B:CAC1220 1.7 21.0 0.8
C2 B:CAC1220 2.0 19.5 0.8
C1 B:CAC1220 2.0 22.5 0.8
OH B:TYR83 3.3 25.0 1.0
O B:HOH2137 3.5 30.4 1.0
OE2 B:GLU95 3.8 23.0 1.0
OE1 B:GLU95 3.9 19.3 1.0
SG B:CYS52 3.9 26.8 0.6
OH B:TYR135 3.9 24.5 1.0
SG B:CYS52 4.2 28.4 0.4
CD B:GLU95 4.2 20.9 1.0
CE1 B:TYR135 4.4 22.1 1.0
CZ B:TYR83 4.4 24.6 1.0
CB B:CYS52 4.5 25.1 0.6
CD B:PRO207 4.5 21.2 1.0
CB B:CYS52 4.6 25.6 0.4
CE2 B:TRP54 4.7 18.9 1.0
CZ B:TYR135 4.7 20.1 1.0
CZ2 B:TRP54 4.7 23.5 1.0
CE1 B:TYR83 4.7 22.2 1.0
CA B:CYS52 4.7 21.6 0.6
CA B:CYS52 4.7 22.0 0.4
CD2 B:TRP54 4.8 17.4 1.0
CH2 B:TRP54 4.8 23.9 1.0
CG B:PRO207 4.9 23.9 1.0
CE3 B:TRP54 4.9 20.5 1.0
CZ3 B:TRP54 5.0 23.2 1.0

Arsenic binding site 3 out of 3 in 4d7l

Go back to Arsenic Binding Sites List in 4d7l
Arsenic binding site 3 out of 3 in the Methionine Sulfoxide Reductase A of Corynebacterium Diphtheriae


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 3 of Methionine Sulfoxide Reductase A of Corynebacterium Diphtheriae within 5.0Å range:
probe atom residue distance (Å) B Occ
C:As1220

b:27.2
occ:0.73
AS C:CAC1220 0.0 27.2 0.7
O2 C:CAC1220 1.7 25.9 0.7
O1 C:CAC1220 1.7 14.8 0.7
C1 C:CAC1220 2.0 24.8 0.7
C2 C:CAC1220 2.0 20.3 0.7
OH C:TYR83 3.3 27.6 1.0
OE2 C:GLU95 3.7 24.2 1.0
OE1 C:GLU95 3.8 20.6 1.0
SG C:CYS52 3.8 29.4 0.6
SG C:CYS52 4.0 28.6 0.4
OH C:TYR135 4.0 28.9 1.0
CD C:GLU95 4.2 21.4 1.0
CZ C:TYR83 4.4 26.7 1.0
CE1 C:TYR135 4.4 22.4 1.0
CB C:CYS52 4.5 23.6 0.6
CB C:CYS52 4.5 23.3 0.4
CE1 C:TYR83 4.6 20.6 1.0
CE2 C:TRP54 4.6 19.7 1.0
CD C:PRO207 4.6 24.4 1.0
CA C:CYS52 4.7 21.6 0.6
CA C:CYS52 4.7 21.5 0.4
CZ2 C:TRP54 4.7 22.6 1.0
CZ C:TYR135 4.7 23.0 1.0
CD2 C:TRP54 4.8 18.8 1.0
CH2 C:TRP54 4.8 24.2 1.0
CE3 C:TRP54 4.9 25.2 1.0
CZ3 C:TRP54 4.9 24.1 1.0
CG C:PRO207 5.0 27.3 1.0

Reference:

M.Tossounian, B.Pedre, K.Wahni, H.Erdogan, D.Vertommen, I.Van Molle, J.Messens. Corynebacterium Diphtheriae Methionine Sulfoxide Reductase A Exploits A Unique Mycothiol Redox Relay Mechanism. J.Biol.Chem. 2015.
ISSN: ESSN 1083-351X
PubMed: 25752606
DOI: 10.1074/JBC.M114.632596
Page generated: Sat Dec 12 01:43:10 2020

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