Iodine in PDB 2fwh: Atomic Resolution Crystal Structure of the C-Terminal Domain of the Electron Transfer Catalyst Dsbd (Reduced Form at PH7)

Enzymatic activity of Atomic Resolution Crystal Structure of the C-Terminal Domain of the Electron Transfer Catalyst Dsbd (Reduced Form at PH7)

All present enzymatic activity of Atomic Resolution Crystal Structure of the C-Terminal Domain of the Electron Transfer Catalyst Dsbd (Reduced Form at PH7):
1.8.1.8;

Protein crystallography data

The structure of Atomic Resolution Crystal Structure of the C-Terminal Domain of the Electron Transfer Catalyst Dsbd (Reduced Form at PH7), PDB code: 2fwh was solved by C.U.Stirnimann, A.Rozhkova, U.Grauschopf, R.A.Boeckmann, R.Glockshuber, G.Capitani, M.G.Gruetter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 15.00 / 0.99
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 30.289, 46.072, 74.070, 90.00, 90.00, 90.00
R / Rfree (%) n/a / 14.6

Iodine Binding Sites:

The binding sites of Iodine atom in the Atomic Resolution Crystal Structure of the C-Terminal Domain of the Electron Transfer Catalyst Dsbd (Reduced Form at PH7) (pdb code 2fwh). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 3 binding sites of Iodine where determined in the Atomic Resolution Crystal Structure of the C-Terminal Domain of the Electron Transfer Catalyst Dsbd (Reduced Form at PH7), PDB code: 2fwh:
Jump to Iodine binding site number: 1; 2; 3;

Iodine binding site 1 out of 3 in 2fwh

Go back to Iodine Binding Sites List in 2fwh
Iodine binding site 1 out of 3 in the Atomic Resolution Crystal Structure of the C-Terminal Domain of the Electron Transfer Catalyst Dsbd (Reduced Form at PH7)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Atomic Resolution Crystal Structure of the C-Terminal Domain of the Electron Transfer Catalyst Dsbd (Reduced Form at PH7) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I1001

b:17.1
occ:0.23
 O A:HOH179 3.2 33.1 1.0
N A:GLY518 3.7 8.2 1.0
CA A:GLY518 3.8 9.2 1.0
N A:GLN519 4.2 8.7 1.0
C A:GLY518 4.2 9.2 1.0
NE2 A:GLN519 4.3 12.8 0.4
CG A:GLN519 4.3 10.8 0.4
CG A:GLN519 4.3 9.4 0.6
CB A:ASP517 4.5 9.1 1.0
CG A:ASP517 4.7 9.2 1.0
O A:HOH164 4.7 21.0 0.5
C A:ASP517 4.8 7.2 1.0
CD A:GLN519 4.8 12.7 0.4
OD1 A:ASP517 4.9 9.1 1.0
NE2 A:GLN519 4.9 12.1 0.6

Iodine binding site 2 out of 3 in 2fwh

Go back to Iodine Binding Sites List in 2fwh
Iodine binding site 2 out of 3 in the Atomic Resolution Crystal Structure of the C-Terminal Domain of the Electron Transfer Catalyst Dsbd (Reduced Form at PH7)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Atomic Resolution Crystal Structure of the C-Terminal Domain of the Electron Transfer Catalyst Dsbd (Reduced Form at PH7) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I1002

b:16.6
occ:0.23
 OE1 A:GLN525 0.9 15.5 0.0
CD A:GLN525 1.7 15.6 0.0
CG A:GLN525 2.6 15.6 0.5
NE2 A:GLN525 2.7 15.7 0.0
CB A:ARG544 3.7 24.1 0.4
O A:ARG544 3.8 37.9 0.4
CB A:GLN525 3.9 17.3 0.5
CB A:GLN525 3.9 16.4 0.3
CB A:GLN525 3.9 16.3 0.2
N A:ALA526 4.0 7.5 1.0
CA A:ARG544 4.0 20.7 0.4
O A:ARG544 4.0 42.1 0.6
CB A:ALA526 4.1 10.4 1.0
CG A:GLN525 4.2 16.4 0.3
CG A:GLN525 4.2 16.5 0.2
C A:GLN525 4.2 10.6 1.0
CA A:ALA526 4.3 8.0 1.0
CA A:ARG544 4.4 29.1 0.6
O A:ASP543 4.4 24.6 0.6
C A:ARG544 4.4 29.1 0.4
CB A:HIS523 4.5 14.4 1.0
CA A:GLN525 4.6 12.5 1.0
O A:GLN525 4.7 16.6 1.0
CG A:ARG544 4.7 22.5 0.4
O A:HOH151 4.7 16.5 1.0
C A:ARG544 4.7 29.9 0.6
CB A:ARG544 4.9 27.1 0.6
N A:GLN525 5.0 11.3 1.0

Iodine binding site 3 out of 3 in 2fwh

Go back to Iodine Binding Sites List in 2fwh
Iodine binding site 3 out of 3 in the Atomic Resolution Crystal Structure of the C-Terminal Domain of the Electron Transfer Catalyst Dsbd (Reduced Form at PH7)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Atomic Resolution Crystal Structure of the C-Terminal Domain of the Electron Transfer Catalyst Dsbd (Reduced Form at PH7) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I1003

b:24.8
occ:0.27
 O A:HOH49 3.5 7.8 0.5
CG A:ARG544 3.5 31.0 0.6
ND1 A:HIS523 3.8 16.6 1.0
CB A:PHE515 3.9 7.8 1.0
NH1 A:ARG544 4.0 20.2 0.4
O A:HOH24 4.1 15.8 1.0
O A:ARG544 4.1 42.1 0.6
N A:ASP517 4.2 6.8 1.0
CD A:ARG544 4.2 24.0 0.4
C A:PHE516 4.3 6.6 1.0
NE A:ARG544 4.4 30.4 0.6
CA A:ASP517 4.4 7.3 1.0
CD A:ARG544 4.4 26.5 0.6
CB A:ASP517 4.4 9.1 1.0
C A:ARG544 4.5 29.9 0.6
C A:PHE515 4.5 7.8 1.0
O A:PHE516 4.5 7.9 1.0
O A:PHE515 4.5 11.3 1.0
CB A:ARG544 4.5 27.1 0.6
N A:PHE516 4.6 6.6 1.0
CG A:HIS523 4.6 12.4 1.0
CZ A:ARG544 4.7 24.2 0.4
CB A:ALA526 4.7 10.4 1.0
CE1 A:HIS523 4.7 13.2 1.0
NE A:ARG544 4.8 18.8 0.4
CA A:PHE516 4.8 6.7 1.0
CB A:HIS523 4.8 14.4 1.0
CA A:PHE515 4.9 6.5 1.0
CG A:PHE515 5.0 6.3 1.0

Reference:

C.U.Stirnimann, A.Rozhkova, U.Grauschopf, R.A.Boeckmann, R.Glockshuber, G.Capitani, M.G.Gruetter. High-Resolution Structures of Escherichia Coli Cdsbd in Different Redox States: A Combined Crystallographic, Biochemical and Computational Study J.Mol.Biol. V. 358 829 2006.
ISSN: ISSN 0022-2836
PubMed: 16545842
DOI: 10.1016/J.JMB.2006.02.030
Page generated: Sun Jan 24 17:23:40 2021

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