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Iodine in PDB 3qs2: Crystal Structure of the Biofilm Forming Subunit of the E. Coli Common Pilus: Full Length Domain Swapped Dimer of Ecpa

Protein crystallography data

The structure of Crystal Structure of the Biofilm Forming Subunit of the E. Coli Common Pilus: Full Length Domain Swapped Dimer of Ecpa, PDB code: 3qs2 was solved by J.A.Garnett, S.J.Matthews, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 60.01 / 1.78
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 46.860, 72.080, 108.320, 90.00, 90.00, 90.00
R / Rfree (%) 17.9 / 22

Iodine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 31;

Binding sites:

The binding sites of Iodine atom in the Crystal Structure of the Biofilm Forming Subunit of the E. Coli Common Pilus: Full Length Domain Swapped Dimer of Ecpa (pdb code 3qs2). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 31 binding sites of Iodine where determined in the Crystal Structure of the Biofilm Forming Subunit of the E. Coli Common Pilus: Full Length Domain Swapped Dimer of Ecpa, PDB code: 3qs2:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 31 in 3qs2

Go back to Iodine Binding Sites List in 3qs2
Iodine binding site 1 out of 31 in the Crystal Structure of the Biofilm Forming Subunit of the E. Coli Common Pilus: Full Length Domain Swapped Dimer of Ecpa


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of the Biofilm Forming Subunit of the E. Coli Common Pilus: Full Length Domain Swapped Dimer of Ecpa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I201

b:14.0
occ:0.40
I A:IOD201 0.0 14.0 0.4
I A:IOD201 1.0 12.2 0.4
N A:ILE158 3.3 12.9 1.0
CA A:GLY157 3.7 13.9 1.0
OD2 A:ASP77 4.0 15.2 1.0
C A:GLY157 4.0 13.3 1.0
O A:ILE158 4.1 12.1 1.0
CG1 A:ILE158 4.2 14.6 1.0
CB A:ILE158 4.2 13.3 1.0
CG A:ASP77 4.2 14.7 1.0
CA A:ILE158 4.3 12.7 1.0
CB A:LEU76 4.3 16.1 1.0
N A:ASP77 4.4 14.7 1.0
CB A:ASP77 4.5 15.0 1.0
N A:LEU76 4.5 13.5 1.0
O B:HOH519 4.6 46.5 1.0
C A:ILE158 4.7 11.9 1.0
OD1 A:ASP77 4.7 13.9 1.0
CA A:LEU76 4.8 14.8 1.0
C A:LEU76 4.9 15.1 1.0
CD2 A:LEU76 4.9 17.8 1.0
O A:HOH305 5.0 12.4 1.0

Iodine binding site 2 out of 31 in 3qs2

Go back to Iodine Binding Sites List in 3qs2
Iodine binding site 2 out of 31 in the Crystal Structure of the Biofilm Forming Subunit of the E. Coli Common Pilus: Full Length Domain Swapped Dimer of Ecpa


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Crystal Structure of the Biofilm Forming Subunit of the E. Coli Common Pilus: Full Length Domain Swapped Dimer of Ecpa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I201

b:12.2
occ:0.40
I A:IOD201 0.0 12.2 0.4
I A:IOD201 1.0 14.0 0.4
N A:ASP77 3.4 14.7 1.0
CG A:ASP77 3.5 14.7 1.0
OD2 A:ASP77 3.6 15.2 1.0
CB A:LEU76 3.6 16.1 1.0
N A:LEU76 3.6 13.5 1.0
N A:ILE158 3.7 12.9 1.0
CB A:ASP77 3.8 15.0 1.0
O A:ILE158 3.8 12.1 1.0
CA A:LEU76 3.9 14.8 1.0
C A:LEU76 4.0 15.1 1.0
OD1 A:ASP77 4.0 13.9 1.0
CA A:ASP77 4.2 14.8 1.0
CA A:GLY157 4.3 13.9 1.0
O B:HOH519 4.4 46.5 1.0
CA A:ILE158 4.5 12.7 1.0
C A:GLY157 4.5 13.3 1.0
CB A:ILE158 4.5 13.3 1.0
C A:ILE158 4.6 11.9 1.0
C A:GLN75 4.7 12.6 1.0
CG A:LEU76 4.7 16.9 1.0
CB A:GLN75 4.7 11.6 1.0
CD2 A:LEU76 4.7 17.8 1.0
O A:HOH305 4.8 12.4 1.0
CG1 A:ILE158 4.8 14.6 1.0
O A:LEU76 4.9 16.2 1.0

Iodine binding site 3 out of 31 in 3qs2

Go back to Iodine Binding Sites List in 3qs2
Iodine binding site 3 out of 31 in the Crystal Structure of the Biofilm Forming Subunit of the E. Coli Common Pilus: Full Length Domain Swapped Dimer of Ecpa


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Crystal Structure of the Biofilm Forming Subunit of the E. Coli Common Pilus: Full Length Domain Swapped Dimer of Ecpa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I202

b:13.1
occ:0.20
I A:IOD202 0.0 13.1 0.2
I A:IOD202 1.3 13.9 0.4
I A:IOD202 2.7 16.1 0.2
N A:LYS96 3.5 12.7 1.0
I A:IOD209 3.6 34.9 0.3
CG A:LYS96 3.7 12.7 1.0
CB A:LYS96 3.9 13.2 1.0
CB A:GLU95 4.1 16.0 1.0
CA A:GLU95 4.1 13.5 1.0
CD A:LYS96 4.2 12.7 1.0
CA A:LYS96 4.3 13.2 1.0
C A:GLU95 4.3 12.8 1.0
CD2 A:LEU68 4.5 8.9 1.0
CG A:GLU95 4.5 19.0 1.0
O A:HOH381 4.7 23.0 1.0
CE A:LYS96 4.7 12.2 1.0
O A:HOH330 4.8 29.5 1.0

Iodine binding site 4 out of 31 in 3qs2

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Iodine binding site 4 out of 31 in the Crystal Structure of the Biofilm Forming Subunit of the E. Coli Common Pilus: Full Length Domain Swapped Dimer of Ecpa


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Crystal Structure of the Biofilm Forming Subunit of the E. Coli Common Pilus: Full Length Domain Swapped Dimer of Ecpa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I202

b:13.9
occ:0.40
I A:IOD202 0.0 13.9 0.4
I A:IOD202 1.3 13.1 0.2
I A:IOD202 1.4 16.1 0.2
I A:IOD209 3.3 34.9 0.3
O A:HOH331 3.8 12.0 1.0
CD2 A:LEU68 4.0 8.9 1.0
CA A:GLU95 4.1 13.5 1.0
CB A:GLU95 4.1 16.0 1.0
N A:LYS96 4.1 12.7 1.0
CG A:GLU95 4.2 19.0 1.0
CD1 A:ILE138 4.5 13.4 1.0
ND2 A:ASN71 4.5 9.2 1.0
CG A:LYS96 4.5 12.7 1.0
C A:GLU95 4.7 12.8 1.0
O A:HOH529 4.7 41.0 1.0
O A:VAL94 4.8 11.2 1.0
CB A:LYS96 4.9 13.2 1.0

Iodine binding site 5 out of 31 in 3qs2

Go back to Iodine Binding Sites List in 3qs2
Iodine binding site 5 out of 31 in the Crystal Structure of the Biofilm Forming Subunit of the E. Coli Common Pilus: Full Length Domain Swapped Dimer of Ecpa


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Crystal Structure of the Biofilm Forming Subunit of the E. Coli Common Pilus: Full Length Domain Swapped Dimer of Ecpa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I202

b:16.1
occ:0.20
I A:IOD202 0.0 16.1 0.2
I A:IOD202 1.4 13.9 0.4
I A:IOD202 2.7 13.1 0.2
O A:HOH331 3.1 12.0 1.0
CD1 A:ILE138 3.2 13.4 1.0
I A:IOD209 3.4 34.9 0.3
O A:HOH529 3.7 41.0 1.0
CD2 A:LEU68 4.2 8.9 1.0
ND2 A:ASN71 4.3 9.2 1.0
CG A:GLU95 4.4 19.0 1.0
CG1 A:ILE138 4.7 12.8 1.0
CA A:GLY86 4.7 9.2 1.0
CA A:GLU95 4.8 13.5 1.0
O A:VAL94 4.8 11.2 1.0
CB A:GLU95 4.8 16.0 1.0
O A:HOH383 5.0 20.4 1.0
O A:VAL85 5.0 9.3 1.0

Iodine binding site 6 out of 31 in 3qs2

Go back to Iodine Binding Sites List in 3qs2
Iodine binding site 6 out of 31 in the Crystal Structure of the Biofilm Forming Subunit of the E. Coli Common Pilus: Full Length Domain Swapped Dimer of Ecpa


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Crystal Structure of the Biofilm Forming Subunit of the E. Coli Common Pilus: Full Length Domain Swapped Dimer of Ecpa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I203

b:11.0
occ:0.25
I A:IOD203 0.0 11.0 0.2
I A:IOD203 1.0 23.4 0.2
O B:HOH438 3.1 26.4 1.0
O A:HOH373 3.6 30.0 1.0
N B:GLY29 3.9 13.0 1.0
CB B:LEU28 4.0 13.0 1.0
CA B:GLY29 4.1 13.0 1.0
CB A:LEU28 4.1 14.1 1.0
C B:LEU28 4.2 12.4 1.0
N A:GLY29 4.3 14.3 1.0
O B:HOH488 4.3 24.2 0.5
C A:LEU28 4.3 13.4 1.0
CA A:GLY29 4.4 15.7 1.0
CD2 B:LEU28 4.5 14.1 1.0
O A:LEU28 4.5 13.5 1.0
O B:LEU28 4.5 12.9 1.0
CG B:LEU28 4.6 13.7 1.0
CD2 A:LEU28 4.7 16.5 1.0
CA B:LEU28 4.7 12.4 1.0
CA A:LEU28 4.8 13.4 1.0
CG A:LEU28 4.8 15.2 1.0

Iodine binding site 7 out of 31 in 3qs2

Go back to Iodine Binding Sites List in 3qs2
Iodine binding site 7 out of 31 in the Crystal Structure of the Biofilm Forming Subunit of the E. Coli Common Pilus: Full Length Domain Swapped Dimer of Ecpa


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Crystal Structure of the Biofilm Forming Subunit of the E. Coli Common Pilus: Full Length Domain Swapped Dimer of Ecpa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I203

b:23.4
occ:0.25
I A:IOD203 0.0 23.4 0.2
I A:IOD203 1.0 11.0 0.2
O A:HOH373 2.8 30.0 1.0
N A:GLY29 3.7 14.3 1.0
O B:HOH438 3.8 26.4 1.0
CA A:GLY29 3.9 15.7 1.0
CB A:LEU28 4.0 14.1 1.0
C A:LEU28 4.0 13.4 1.0
CB B:LEU28 4.2 13.0 1.0
O A:LEU28 4.5 13.5 1.0
O A:HOH364 4.5 23.8 0.5
C B:LEU28 4.5 12.4 1.0
N B:GLY29 4.5 13.0 1.0
CA A:LEU28 4.6 13.4 1.0
CD2 B:LEU28 4.6 14.1 1.0
O B:LEU28 4.6 12.9 1.0
CA B:GLY29 4.6 13.0 1.0
O B:HOH488 4.7 24.2 0.5
CG A:LEU28 4.7 15.2 1.0
CD2 A:LEU28 4.7 16.5 1.0
O A:HOH372 4.7 21.4 1.0
CG B:LEU28 4.9 13.7 1.0
CA B:LEU28 5.0 12.4 1.0

Iodine binding site 8 out of 31 in 3qs2

Go back to Iodine Binding Sites List in 3qs2
Iodine binding site 8 out of 31 in the Crystal Structure of the Biofilm Forming Subunit of the E. Coli Common Pilus: Full Length Domain Swapped Dimer of Ecpa


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Crystal Structure of the Biofilm Forming Subunit of the E. Coli Common Pilus: Full Length Domain Swapped Dimer of Ecpa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I204

b:16.0
occ:0.35
O A:HOH316 3.3 13.6 1.0
O A:HOH322 3.7 21.2 1.0
CG2 A:THR60 4.4 13.8 1.0
O A:THR58 4.5 14.4 1.0
CA A:THR58 4.7 14.3 1.0
C A:THR58 4.9 13.8 1.0

Iodine binding site 9 out of 31 in 3qs2

Go back to Iodine Binding Sites List in 3qs2
Iodine binding site 9 out of 31 in the Crystal Structure of the Biofilm Forming Subunit of the E. Coli Common Pilus: Full Length Domain Swapped Dimer of Ecpa


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 9 of Crystal Structure of the Biofilm Forming Subunit of the E. Coli Common Pilus: Full Length Domain Swapped Dimer of Ecpa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I205

b:13.8
occ:0.20
N A:THR149 3.6 21.1 1.0
CA A:VAL148 3.8 22.4 1.0
N A:ASP150 3.8 19.9 1.0
CG1 A:VAL148 3.9 24.4 1.0
CB A:VAL148 3.9 22.3 1.0
CB A:ASP150 4.1 20.5 1.0
C A:VAL148 4.3 21.0 1.0
OG1 A:THR149 4.4 22.1 1.0
CA A:ASP150 4.6 18.8 1.0
O A:ALA147 4.7 24.2 1.0
CA A:THR149 4.7 20.4 1.0
C A:THR149 4.7 20.4 1.0
O A:HOH439 4.7 31.1 1.0

Iodine binding site 10 out of 31 in 3qs2

Go back to Iodine Binding Sites List in 3qs2
Iodine binding site 10 out of 31 in the Crystal Structure of the Biofilm Forming Subunit of the E. Coli Common Pilus: Full Length Domain Swapped Dimer of Ecpa


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 10 of Crystal Structure of the Biofilm Forming Subunit of the E. Coli Common Pilus: Full Length Domain Swapped Dimer of Ecpa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I206

b:24.1
occ:0.20
I A:IOD206 0.0 24.1 0.2
I A:IOD206 1.4 32.7 0.2
N A:GLY38 3.3 33.9 1.0
CA A:GLY38 3.7 35.8 1.0
N A:GLU37 4.3 27.2 1.0
C A:GLU37 4.4 32.5 1.0
CA A:GLU37 4.8 30.3 1.0
CB A:ALA36 4.8 25.2 1.0
C A:ALA36 4.8 25.7 1.0
CB A:GLU37 4.9 30.9 1.0
CA A:ALA36 5.0 24.3 1.0

Reference:

J.A.Garnett, V.I.Martinez-Santos, Z.Saldana, T.Pape, W.Hawthorne, J.Chan, P.J.Simpson, E.Cota, J.L.Puente, J.A.Giron, S.Matthews. Structural Insights Into the Biogenesis and Biofilm Formation By the Escherichia Coli Common Pilus. Proc.Natl.Acad.Sci.Usa V. 109 3950 2012.
ISSN: ISSN 0027-8424
PubMed: 22355107
DOI: 10.1073/PNAS.1106733109
Page generated: Sun Jan 24 17:26:13 2021

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