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Arsenic in PDB 4wp2: Chaetomium MEX67 Uba Domain

Protein crystallography data

The structure of Chaetomium MEX67 Uba Domain, PDB code: 4wp2 was solved by S.Aibara, M.Stewart, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.53 / 1.70
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 95.903, 95.903, 74.967, 90.00, 90.00, 120.00
R / Rfree (%) 19.8 / 24

Arsenic Binding Sites:

The binding sites of Arsenic atom in the Chaetomium MEX67 Uba Domain (pdb code 4wp2). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 8 binding sites of Arsenic where determined in the Chaetomium MEX67 Uba Domain, PDB code: 4wp2:
Jump to Arsenic binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Arsenic binding site 1 out of 8 in 4wp2

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Arsenic binding site 1 out of 8 in the Chaetomium MEX67 Uba Domain


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Chaetomium MEX67 Uba Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As623

b:31.0
occ:1.00
AS A:CAS623 0.0 31.0 1.0
CE2 A:CAS623 1.9 32.4 1.0
CE1 A:CAS623 2.0 39.7 1.0
SG A:CAS623 2.3 28.2 1.0
HE21 A:CAS623 2.4 38.9 1.0
HE22 A:CAS623 2.4 38.9 1.0
HE23 A:CAS623 2.4 38.9 1.0
HE11 A:CAS623 2.5 47.6 1.0
HE13 A:CAS623 2.5 47.6 1.0
HE12 A:CAS623 2.5 47.6 1.0
HA A:CAS623 2.8 23.7 1.0
CA A:CAS623 3.3 19.8 1.0
CB A:CAS623 3.4 19.9 1.0
N A:CAS623 3.4 19.8 1.0
H A:CAS623 3.6 23.7 1.0
HB3 A:MET622 3.8 24.1 1.0
HB2 A:MET622 3.8 24.1 1.0
C A:MET622 3.9 21.3 1.0
HB2 A:CAS623 3.9 23.9 1.0
O A:HOH721 3.9 34.6 1.0
HB3 A:CAS623 4.1 23.9 1.0
CB A:MET622 4.2 20.1 1.0
HE1 A:MET615 4.2 32.3 1.0
O A:MET622 4.2 19.8 1.0
O A:TYR619 4.3 20.3 1.0
HA A:PHE639 4.4 28.0 1.0
HB3 A:SER638 4.7 36.9 1.0
CA A:MET622 4.7 20.4 1.0
HB2 A:SER638 4.7 36.9 1.0
OE1 A:GLN642 4.8 53.3 1.0
C A:CAS623 4.8 23.0 1.0
HD1 A:PHE639 4.8 33.3 1.0
HB2 A:PHE639 4.8 30.8 1.0
HB2 A:GLN642 4.9 46.2 1.0
HG22 A:VAL646 5.0 40.8 1.0

Arsenic binding site 2 out of 8 in 4wp2

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Arsenic binding site 2 out of 8 in the Chaetomium MEX67 Uba Domain


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Chaetomium MEX67 Uba Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
B:As623

b:40.8
occ:1.00
AS B:CAS623 0.0 40.8 1.0
CE2 B:CAS623 1.9 43.8 1.0
CE1 B:CAS623 1.9 30.4 1.0
SG B:CAS623 2.3 32.4 1.0
HE21 B:CAS623 2.4 52.5 1.0
HE22 B:CAS623 2.4 52.5 1.0
HE23 B:CAS623 2.4 52.5 1.0
HE11 B:CAS623 2.4 36.5 1.0
HE13 B:CAS623 2.5 36.5 1.0
HE12 B:CAS623 2.5 36.5 1.0
HA B:CAS623 2.9 30.9 1.0
HA2 C:GLY626 3.2 25.0 1.0
CB B:CAS623 3.4 30.7 1.0
CA B:CAS623 3.5 25.7 1.0
HB2 B:CAS623 3.6 36.8 1.0
N B:CAS623 3.9 21.5 1.0
H C:GLY626 4.0 25.9 1.0
H B:CAS623 4.1 25.8 1.0
OE1 B:GLN642 4.1 37.9 1.0
CA C:GLY626 4.1 20.8 1.0
HA B:PHE639 4.1 44.1 1.0
HB3 B:CAS623 4.2 36.8 1.0
HE1 B:MET615 4.3 40.2 1.0
HB3 B:SER638 4.3 36.3 1.0
N C:GLY626 4.3 21.6 1.0
O B:HOH715 4.4 26.5 1.0
HB2 B:SER638 4.4 36.3 1.0
C B:MET622 4.4 22.3 1.0
HB2 B:MET622 4.4 36.9 1.0
HB3 B:MET622 4.5 36.9 1.0
O B:TYR619 4.6 30.6 1.0
HA3 C:GLY626 4.6 25.0 1.0
HB2 B:PHE639 4.6 39.2 1.0
CD B:GLN642 4.7 34.9 1.0
O B:MET622 4.7 22.6 1.0
O B:HOH719 4.7 46.6 1.0
HE22 B:GLN642 4.7 35.5 1.0
HB2 B:GLN642 4.7 49.5 1.0
N B:PHE639 4.8 30.2 1.0
CB B:SER638 4.8 30.3 1.0
CA B:PHE639 4.9 36.8 1.0
CB B:MET622 4.9 30.8 1.0
C B:CAS623 4.9 23.9 1.0
C B:SER638 4.9 31.0 1.0
HB C:THR625 4.9 21.4 1.0
HD1 B:PHE639 5.0 41.8 1.0
NE2 B:GLN642 5.0 29.6 1.0
O B:SER638 5.0 35.5 1.0

Arsenic binding site 3 out of 8 in 4wp2

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Arsenic binding site 3 out of 8 in the Chaetomium MEX67 Uba Domain


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 3 of Chaetomium MEX67 Uba Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
C:As623

b:34.1
occ:1.00
AS C:CAS623 0.0 34.1 1.0
CE2 C:CAS623 1.9 35.1 1.0
CE1 C:CAS623 1.9 35.9 1.0
SG C:CAS623 2.3 31.7 1.0
HE21 C:CAS623 2.4 42.1 1.0
HE22 C:CAS623 2.4 42.1 1.0
HE11 C:CAS623 2.4 43.1 1.0
HE23 C:CAS623 2.4 42.1 1.0
HE13 C:CAS623 2.5 43.1 1.0
HE12 C:CAS623 2.5 43.1 1.0
HA C:CAS623 2.8 25.2 1.0
HA2 B:GLY626 3.1 26.4 1.0
CA C:CAS623 3.3 21.0 1.0
CB C:CAS623 3.4 22.7 1.0
N C:CAS623 3.4 21.1 1.0
H C:CAS623 3.5 25.3 1.0
H B:GLY626 3.6 23.6 1.0
HB3 C:MET622 3.8 25.1 1.0
HB2 C:MET622 3.9 25.1 1.0
CA B:GLY626 3.9 22.0 1.0
C C:MET622 3.9 19.3 1.0
O C:HOH710 4.0 38.2 1.0
HB2 C:CAS623 4.0 27.2 1.0
N B:GLY626 4.0 19.6 1.0
HB3 C:CAS623 4.0 27.2 1.0
CB C:MET622 4.2 20.9 1.0
HE1 C:MET615 4.3 37.7 1.0
O C:TYR619 4.3 21.6 1.0
HA3 B:GLY626 4.3 26.4 1.0
O C:MET622 4.3 20.5 1.0
HB B:THR625 4.4 23.7 1.0
HA C:PHE639 4.4 38.2 1.0
HB3 C:SER638 4.6 48.6 1.0
HB2 C:SER638 4.7 48.6 1.0
CA C:MET622 4.7 21.6 1.0
OE1 C:GLN642 4.8 62.2 1.0
C C:CAS623 4.8 21.6 1.0
HD1 C:PHE639 4.8 36.6 1.0
HB2 C:PHE639 4.9 35.1 1.0
HB2 C:GLN642 5.0 74.2 1.0
C B:GLY626 5.0 26.9 1.0

Arsenic binding site 4 out of 8 in 4wp2

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Arsenic binding site 4 out of 8 in the Chaetomium MEX67 Uba Domain


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 4 of Chaetomium MEX67 Uba Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
D:As623

b:32.6
occ:1.00
AS D:CAS623 0.0 32.6 1.0
CE2 D:CAS623 1.9 69.4 1.0
CE1 D:CAS623 1.9 20.8 1.0
SG D:CAS623 2.3 25.9 1.0
HE21 D:CAS623 2.4 83.3 1.0
HE22 D:CAS623 2.4 83.3 1.0
HE23 D:CAS623 2.4 83.3 1.0
HE11 D:CAS623 2.4 24.9 1.0
HE13 D:CAS623 2.5 24.9 1.0
HE12 D:CAS623 2.5 24.9 1.0
HA D:CAS623 3.0 23.9 1.0
HA2 E:GLY626 3.1 20.9 1.0
CB D:CAS623 3.3 23.7 1.0
HB2 D:CAS623 3.5 28.5 1.0
CA D:CAS623 3.5 19.9 1.0
OE1 D:GLN642 3.8 30.0 1.0
HA D:PHE639 3.9 33.9 1.0
N D:CAS623 4.0 18.9 1.0
CA E:GLY626 4.1 17.4 1.0
H D:CAS623 4.2 22.7 1.0
HB3 D:CAS623 4.2 28.5 1.0
H E:GLY626 4.2 20.8 1.0
HE1 D:MET615 4.2 38.8 1.0
HB2 D:SER638 4.2 27.8 1.0
HB3 D:SER638 4.3 27.8 1.0
HB2 D:PHE639 4.3 32.3 1.0
O D:HOH719 4.4 25.0 1.0
CD D:GLN642 4.4 27.5 1.0
HE22 D:GLN642 4.5 23.5 1.0
N D:PHE639 4.5 23.4 1.0
N E:GLY626 4.5 17.3 1.0
HA3 E:GLY626 4.6 20.9 1.0
CA D:PHE639 4.6 28.2 1.0
HB2 D:GLN642 4.6 32.0 1.0
H D:PHE639 4.7 28.1 1.0
C D:SER638 4.7 22.0 1.0
HD1 D:PHE639 4.7 42.6 1.0
CB D:SER638 4.7 23.1 1.0
C D:MET622 4.7 20.6 1.0
NE2 D:GLN642 4.7 19.6 1.0
O D:SER638 4.8 23.9 1.0
O D:TYR619 4.8 22.1 1.0
O D:HOH711 4.8 32.1 1.0
HB2 D:MET622 4.9 24.5 1.0
C D:CAS623 4.9 17.8 1.0
C E:GLY626 4.9 17.7 1.0
HB3 D:MET622 5.0 24.5 1.0
CB D:PHE639 5.0 26.9 1.0

Arsenic binding site 5 out of 8 in 4wp2

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Arsenic binding site 5 out of 8 in the Chaetomium MEX67 Uba Domain


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 5 of Chaetomium MEX67 Uba Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
E:As623

b:28.8
occ:1.00
AS E:CAS623 0.0 28.8 1.0
CE2 E:CAS623 1.9 42.7 1.0
CE1 E:CAS623 1.9 19.6 1.0
SG E:CAS623 2.3 26.3 1.0
HE21 E:CAS623 2.4 51.2 1.0
HE22 E:CAS623 2.4 51.2 1.0
HE11 E:CAS623 2.4 23.5 1.0
HE23 E:CAS623 2.4 51.2 1.0
HE13 E:CAS623 2.5 23.5 1.0
HE12 E:CAS623 2.5 23.5 1.0
HA E:CAS623 2.9 22.3 1.0
HA2 D:GLY626 3.0 22.3 1.0
CB E:CAS623 3.3 22.7 1.0
CA E:CAS623 3.4 18.6 1.0
HB2 E:CAS623 3.6 27.3 1.0
OE1 E:GLN642 3.8 33.3 1.0
N E:CAS623 3.8 18.4 1.0
H E:CAS623 3.9 22.1 1.0
CA D:GLY626 3.9 18.6 1.0
HB3 E:SER638 4.0 32.5 1.0
HB2 E:SER638 4.0 32.5 1.0
HA E:PHE639 4.1 28.2 1.0
HE1 E:MET615 4.1 32.0 1.0
H D:GLY626 4.2 22.8 1.0
HB3 E:CAS623 4.2 27.3 1.0
HA3 D:GLY626 4.4 22.3 1.0
O D:HOH718 4.4 25.1 1.0
CD E:GLN642 4.4 36.5 1.0
N D:GLY626 4.4 19.0 1.0
CB E:SER638 4.5 27.1 1.0
C E:MET622 4.5 20.5 1.0
HB2 E:PHE639 4.5 26.9 1.0
HB2 E:GLN642 4.5 38.2 1.0
HB3 E:MET622 4.5 22.2 1.0
HE22 E:GLN642 4.5 29.6 1.0
HB2 E:MET622 4.6 22.2 1.0
N E:PHE639 4.6 26.8 1.0
O E:TYR619 4.6 20.6 1.0
C E:SER638 4.7 20.9 1.0
CA E:PHE639 4.8 23.5 1.0
O E:SER638 4.8 22.1 1.0
NE2 E:GLN642 4.8 24.6 1.0
C D:GLY626 4.8 17.9 1.0
H E:PHE639 4.8 32.1 1.0
O E:MET622 4.8 18.6 1.0
C E:CAS623 4.8 18.2 1.0
HD1 E:PHE639 4.9 31.5 1.0
CB E:MET622 5.0 18.5 1.0

Arsenic binding site 6 out of 8 in 4wp2

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Arsenic binding site 6 out of 8 in the Chaetomium MEX67 Uba Domain


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 6 of Chaetomium MEX67 Uba Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
F:As623

b:37.8
occ:1.00
AS F:CAS623 0.0 37.8 1.0
CE2 F:CAS623 1.9 56.8 1.0
CE1 F:CAS623 1.9 41.3 1.0
SG F:CAS623 2.3 32.1 1.0
HE21 F:CAS623 2.4 68.2 1.0
HE22 F:CAS623 2.4 68.2 1.0
HE23 F:CAS623 2.4 68.2 1.0
HE11 F:CAS623 2.4 49.5 1.0
HE13 F:CAS623 2.5 49.5 1.0
HE12 F:CAS623 2.5 49.5 1.0
HA F:CAS623 2.9 30.8 1.0
HA2 G:GLY626 3.1 25.4 1.0
CB F:CAS623 3.4 22.8 1.0
CA F:CAS623 3.5 25.6 1.0
HB2 F:CAS623 3.7 27.4 1.0
N F:CAS623 3.8 24.7 1.0
H G:GLY626 3.9 21.4 1.0
H F:CAS623 4.0 29.7 1.0
CA G:GLY626 4.0 21.2 1.0
HA F:PHE639 4.0 31.9 1.0
OE1 F:GLN642 4.1 31.7 1.0
N G:GLY626 4.2 17.9 1.0
HB3 F:CAS623 4.2 27.4 1.0
HE1 F:MET615 4.3 37.1 1.0
O F:HOH708 4.3 24.1 1.0
C F:MET622 4.4 22.4 1.0
HA3 G:GLY626 4.4 25.4 1.0
HB2 F:PHE639 4.5 29.9 1.0
HB2 F:SER638 4.5 29.3 1.0
HB2 F:MET622 4.5 34.2 1.0
HB3 F:SER638 4.5 29.3 1.0
HB3 F:MET622 4.6 34.2 1.0
O F:HOH717 4.6 35.8 1.0
O F:MET622 4.7 22.2 1.0
HB G:THR625 4.7 22.2 1.0
O F:TYR619 4.7 26.4 1.0
HD2 F:PHE639 4.7 39.5 1.0
HB2 F:GLN642 4.7 32.7 1.0
N F:PHE639 4.7 26.0 1.0
CA F:PHE639 4.7 26.6 1.0
CD F:GLN642 4.8 29.7 1.0
HE22 F:GLN642 4.9 28.5 1.0
C F:SER638 4.9 23.5 1.0
CB F:SER638 4.9 24.4 1.0
CB F:MET622 4.9 28.5 1.0
C F:CAS623 4.9 20.8 1.0
H F:PHE639 4.9 31.2 1.0
O F:SER638 5.0 24.4 1.0

Arsenic binding site 7 out of 8 in 4wp2

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Arsenic binding site 7 out of 8 in the Chaetomium MEX67 Uba Domain


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 7 of Chaetomium MEX67 Uba Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
G:As623

b:35.2
occ:1.00
AS G:CAS623 0.0 35.2 1.0
CE2 G:CAS623 1.9 36.6 1.0
CE1 G:CAS623 1.9 57.5 1.0
SG G:CAS623 2.3 32.0 1.0
HE21 G:CAS623 2.4 44.0 1.0
HE22 G:CAS623 2.4 44.0 1.0
HE11 G:CAS623 2.4 69.0 1.0
HE23 G:CAS623 2.5 44.0 1.0
HE13 G:CAS623 2.5 69.0 1.0
HE12 G:CAS623 2.5 69.0 1.0
HA G:CAS623 2.8 27.9 1.0
HA2 F:GLY626 3.1 20.6 1.0
CA G:CAS623 3.3 23.3 1.0
CB G:CAS623 3.4 21.2 1.0
N G:CAS623 3.6 18.9 1.0
H F:GLY626 3.7 24.7 1.0
H G:CAS623 3.8 22.6 1.0
HB2 G:CAS623 3.9 25.5 1.0
HB3 G:MET622 3.9 27.3 1.0
CA F:GLY626 4.0 17.1 1.0
HB2 G:MET622 4.0 27.3 1.0
C G:MET622 4.0 19.8 1.0
N F:GLY626 4.1 20.6 1.0
O G:HOH704 4.1 34.2 1.0
HB3 G:CAS623 4.1 25.5 1.0
HE1 G:MET615 4.3 36.2 1.0
HA G:PHE639 4.4 34.9 1.0
O G:MET622 4.4 18.8 1.0
HA3 F:GLY626 4.4 20.6 1.0
HB F:THR625 4.4 20.0 1.0
CB G:MET622 4.4 22.8 1.0
O G:TYR619 4.5 24.3 1.0
OE1 G:GLN642 4.6 59.5 1.0
HB3 G:SER638 4.6 40.8 1.0
HB2 G:SER638 4.8 40.8 1.0
C G:CAS623 4.8 21.2 1.0
HB2 G:PHE639 4.8 36.9 1.0
HD1 G:PHE639 4.8 35.7 1.0
HB2 G:GLN642 4.8 51.6 1.0
CA G:MET622 4.9 20.0 1.0

Arsenic binding site 8 out of 8 in 4wp2

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Arsenic binding site 8 out of 8 in the Chaetomium MEX67 Uba Domain


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 8 of Chaetomium MEX67 Uba Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
H:As623

b:39.5
occ:1.00
AS H:CAS623 0.0 39.5 1.0
CE2 H:CAS623 1.9 56.1 1.0
CE1 H:CAS623 1.9 34.0 1.0
SG H:CAS623 2.3 29.3 1.0
HE21 H:CAS623 2.4 67.3 1.0
HE22 H:CAS623 2.4 67.3 1.0
HE23 H:CAS623 2.4 67.3 1.0
HE11 H:CAS623 2.4 40.8 1.0
HE13 H:CAS623 2.5 40.8 1.0
HE12 H:CAS623 2.5 40.8 1.0
HA H:CAS623 2.9 28.4 1.0
CB H:CAS623 3.4 23.9 1.0
CA H:CAS623 3.5 23.6 1.0
HB2 H:CAS623 3.6 28.7 1.0
N H:CAS623 3.8 19.4 1.0
H H:CAS623 4.0 23.3 1.0
HA H:PHE639 4.0 31.4 1.0
OE1 H:GLN642 4.0 35.4 1.0
HB3 H:CAS623 4.2 28.7 1.0
HE1 H:MET615 4.3 46.2 1.0
O H:HOH705 4.3 29.7 1.0
HB3 H:SER638 4.4 33.1 1.0
O H:HOH706 4.4 41.3 1.0
HB2 H:SER638 4.4 33.1 1.0
HB2 H:MET622 4.4 25.1 1.0
C H:MET622 4.4 18.1 1.0
HB2 H:PHE639 4.5 28.0 1.0
HB3 H:MET622 4.5 25.1 1.0
HB2 H:GLN642 4.6 38.9 1.0
O H:TYR619 4.7 24.1 1.0
N H:PHE639 4.7 25.7 1.0
CD H:GLN642 4.7 32.8 1.0
O H:MET622 4.7 18.6 1.0
HD1 H:PHE639 4.7 42.5 1.0
CA H:PHE639 4.7 26.2 1.0
HE22 H:GLN642 4.8 39.2 1.0
CB H:SER638 4.8 27.6 1.0
CB H:MET622 4.9 21.0 1.0
C H:SER638 4.9 27.4 1.0
C H:CAS623 4.9 22.4 1.0
H H:PHE639 4.9 30.9 1.0
O H:SER638 5.0 33.9 1.0

Reference:

S.Aibara, E.Valkov, M.H.Lamers, L.Dimitrova, E.Hurt, M.Stewart. Structural Characterization of the Principal Mrna-Export Factor MEX67-MTR2 From Chaetomium Thermophilum. Acta Crystallogr.,Sect.F V. 71 876 2015.
ISSN: ESSN 2053-230X
PubMed: 26144233
DOI: 10.1107/S2053230X15008766
Page generated: Wed Jul 10 12:38:00 2024

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