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Arsenic in PDB 2pnk: Crystal Structure of An Uronate Isomerase (BH0493) From Bacillus Halodurans C-125 at 2.00 A Resolution

Protein crystallography data

The structure of Crystal Structure of An Uronate Isomerase (BH0493) From Bacillus Halodurans C-125 at 2.00 A Resolution, PDB code: 2pnk was solved by Joint Center For Structural Genomics (Jcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.56 / 2.00
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 273.720, 158.560, 181.240, 90.00, 116.03, 90.00
R / Rfree (%) 14.8 / 17.8

Other elements in 2pnk:

The structure of Crystal Structure of An Uronate Isomerase (BH0493) From Bacillus Halodurans C-125 at 2.00 A Resolution also contains other interesting chemical elements:

Chlorine (Cl) 8 atoms
Sodium (Na) 3 atoms

Arsenic Binding Sites:

The binding sites of Arsenic atom in the Crystal Structure of An Uronate Isomerase (BH0493) From Bacillus Halodurans C-125 at 2.00 A Resolution (pdb code 2pnk). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 3 binding sites of Arsenic where determined in the Crystal Structure of An Uronate Isomerase (BH0493) From Bacillus Halodurans C-125 at 2.00 A Resolution, PDB code: 2pnk:
Jump to Arsenic binding site number: 1; 2; 3;

Arsenic binding site 1 out of 3 in 2pnk

Go back to Arsenic Binding Sites List in 2pnk
Arsenic binding site 1 out of 3 in the Crystal Structure of An Uronate Isomerase (BH0493) From Bacillus Halodurans C-125 at 2.00 A Resolution


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 An Uronate Isomerase (BH0493) From Bacillus Halodurans C-125 at 2.00 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:As428

b:33.7
occ:1.00
AS B:UNL428 0.0 33.7 1.0
O9 B:UNL428 2.3 24.2 1.0
O1 B:UNL428 2.3 20.9 1.0
O14 B:UNL428 2.4 16.7 1.0
O10 B:UNL428 2.4 15.5 1.0
O6 B:UNL428 2.4 19.7 1.0
O4 B:UNL428 2.5 33.0 1.0
O3 B:UNL428 2.6 24.9 1.0
O7 B:UNL428 2.9 27.0 1.0
O13 B:UNL428 2.9 32.0 1.0
O11 B:UNL428 2.9 32.0 1.0
O5 B:UNL428 3.2 30.8 1.0
O8 B:UNL428 3.7 16.5 1.0
O B:HOH453 3.9 21.1 1.0
O2 B:UNL428 3.9 15.9 1.0
O15 B:UNL428 4.0 23.0 1.0
ND2 G:ASN197 4.0 20.4 1.0
O12 B:UNL428 4.1 24.9 1.0
O B:HOH446 4.1 17.8 1.0
O B:HOH466 4.3 23.7 1.0
ND2 B:ASN235 4.4 21.9 1.0
O B:HOH561 4.9 36.4 1.0
CG G:ASN197 4.9 22.9 1.0
O B:ASN176 4.9 21.8 1.0

Arsenic binding site 2 out of 3 in 2pnk

Go back to Arsenic Binding Sites List in 2pnk
Arsenic binding site 2 out of 3 in the Crystal Structure of An Uronate Isomerase (BH0493) From Bacillus Halodurans C-125 at 2.00 A Resolution


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 An Uronate Isomerase (BH0493) From Bacillus Halodurans C-125 at 2.00 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
H:As430

b:31.0
occ:1.00
AS H:UNL430 0.0 31.0 1.0
O1 H:UNL430 2.3 16.4 1.0
O6 H:UNL430 2.3 17.6 1.0
O12 H:UNL430 2.4 16.2 1.0
O13 H:UNL430 2.5 18.2 1.0
O8 H:UNL430 2.6 18.3 1.0
O15 H:UNL430 2.6 22.2 1.0
O9 H:UNL430 2.6 25.1 1.0
O3 H:UNL430 2.7 25.8 1.0
O5 H:UNL430 2.8 25.4 1.0
O11 H:UNL430 3.0 25.5 1.0
O4 H:UNL430 3.1 28.0 1.0
O2 H:UNL430 3.8 14.2 1.0
O14 H:UNL430 3.8 10.0 1.0
O H:HOH460 3.9 16.2 1.0
O7 H:UNL430 3.9 16.3 1.0
O10 H:UNL430 4.0 20.5 1.0
ND2 A:ASN197 4.1 21.7 1.0
O H:HOH459 4.1 15.1 1.0
O H:HOH461 4.4 16.1 1.0
ND2 H:ASN235 4.6 23.4 1.0
O H:ASN176 4.8 22.1 1.0
CG A:ASN197 4.9 21.5 1.0

Arsenic binding site 3 out of 3 in 2pnk

Go back to Arsenic Binding Sites List in 2pnk
Arsenic binding site 3 out of 3 in the Crystal Structure of An Uronate Isomerase (BH0493) From Bacillus Halodurans C-125 at 2.00 A Resolution


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 3 of Crystal Structure of An Uronate Isomerase (BH0493) From Bacillus Halodurans C-125 at 2.00 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
J:As430

b:27.1
occ:1.00
AS J:UNL430 0.0 27.1 1.0
O5 J:UNL430 2.1 11.7 1.0
O4 J:UNL430 2.3 30.9 1.0
O13 J:UNL430 2.3 11.9 1.0
O9 J:UNL430 2.4 19.9 1.0
O15 J:UNL430 2.4 18.7 1.0
O16 J:UNL430 2.5 21.4 1.0
O12 J:UNL430 2.6 11.8 1.0
O3 J:UNL430 2.7 20.4 1.0
O11 J:UNL430 2.8 20.6 1.0
O8 J:UNL430 2.8 22.5 1.0
O7 J:UNL430 2.9 17.3 1.0
O6 J:UNL430 3.0 19.4 1.0
O14 J:UNL430 3.8 16.4 1.0
O J:HOH450 3.9 14.5 1.0
O17 J:UNL430 3.9 10.8 1.0
O10 J:UNL430 3.9 16.8 1.0
O J:HOH473 4.1 18.8 1.0
O2 J:UNL430 4.1 14.9 1.0
ND2 J:ASN235 4.4 20.1 1.0
O J:HOH469 4.5 18.7 1.0
O J:ASN176 4.8 23.4 1.0
CG J:GLU179 4.9 25.6 1.0

Reference:

Joint Center For Structural Genomics (Jcsg), Joint Center For Structural Genomics (Jcsg). N/A N/A.
Page generated: Tue Oct 27 16:49:19 2020

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