Atomistry » Iodine » PDB 5sb0-5w1i » 5vq5
Atomistry »
  Iodine »
    PDB 5sb0-5w1i »
      5vq5 »

Iodine in PDB 5vq5: Crystal Structure of the Lectin Domain From the F17-Like Adhesin, Ucld

Protein crystallography data

The structure of Crystal Structure of the Lectin Domain From the F17-Like Adhesin, Ucld, PDB code: 5vq5 was solved by R.D.Klein, C.N.Spaulding, K.W.Dodson, J.S.Pinkner, S.J.Hultgren, D.Fremont, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 55.57 / 1.60
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 39.010, 58.600, 175.070, 90.00, 90.00, 90.00
R / Rfree (%) 17.2 / 21.8

Iodine Binding Sites:

The binding sites of Iodine atom in the Crystal Structure of the Lectin Domain From the F17-Like Adhesin, Ucld (pdb code 5vq5). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 6 binding sites of Iodine where determined in the Crystal Structure of the Lectin Domain From the F17-Like Adhesin, Ucld, PDB code: 5vq5:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6;

Iodine binding site 1 out of 6 in 5vq5

Go back to Iodine Binding Sites List in 5vq5
Iodine binding site 1 out of 6 in the Crystal Structure of the Lectin Domain From the F17-Like Adhesin, Ucld


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 Lectin Domain From the F17-Like Adhesin, Ucld within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I301

b:15.1
occ:1.00
CB A:ALA105 3.9 19.6 1.0
CB A:TRP103 4.0 18.6 1.0
N A:ALA105 4.4 16.1 1.0
CD A:PRO104 4.4 20.6 1.0
CG A:TRP103 4.6 21.3 1.0
CE3 A:TRP103 4.8 23.8 1.0
CG A:PRO104 4.8 20.9 1.0
CA A:ALA105 4.8 16.2 1.0
N A:PRO104 4.8 20.8 1.0
CD2 A:TRP103 4.9 23.4 1.0

Iodine binding site 2 out of 6 in 5vq5

Go back to Iodine Binding Sites List in 5vq5
Iodine binding site 2 out of 6 in the Crystal Structure of the Lectin Domain From the F17-Like Adhesin, Ucld


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 Lectin Domain From the F17-Like Adhesin, Ucld within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I302

b:14.1
occ:1.00
N A:LEU53 3.5 9.5 1.0
NH1 A:ARG172 3.8 11.9 1.0
N A:ARG172 3.9 14.0 1.0
CB A:ARG172 3.9 15.8 1.0
CA A:ALA52 4.0 10.5 1.0
CB A:LYS171 4.0 12.0 1.0
CG A:ARG172 4.2 18.5 1.0
CB A:ALA52 4.2 10.9 1.0
C A:ALA52 4.3 9.0 1.0
CB A:LEU53 4.3 9.0 1.0
CA A:ARG172 4.5 13.0 1.0
CA A:LEU53 4.5 10.8 1.0
CG A:LYS171 4.6 13.9 1.0
CD A:ARG172 4.6 16.3 1.0
C A:LYS171 4.7 13.7 1.0
CA A:LYS171 4.7 11.5 1.0
O A:LEU53 4.8 10.2 1.0
N A:LYS171 4.8 11.0 1.0
CZ A:ARG172 4.8 13.2 1.0
O A:ILE51 4.9 10.3 1.0
CD1 A:LEU53 4.9 18.5 1.0
CG A:LEU53 5.0 20.0 1.0

Iodine binding site 3 out of 6 in 5vq5

Go back to Iodine Binding Sites List in 5vq5
Iodine binding site 3 out of 6 in the Crystal Structure of the Lectin Domain From the F17-Like Adhesin, Ucld


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 Lectin Domain From the F17-Like Adhesin, Ucld within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I303

b:24.3
occ:1.00
O A:HOH508 3.3 20.8 1.0
O A:HOH407 3.4 19.9 1.0
O A:HOH596 4.0 35.2 1.0
CG2 A:THR129 4.3 12.4 1.0
CA A:GLY122 4.4 13.1 1.0
N A:GLY122 4.9 13.1 1.0
O A:HOH421 5.0 20.2 1.0

Iodine binding site 4 out of 6 in 5vq5

Go back to Iodine Binding Sites List in 5vq5
Iodine binding site 4 out of 6 in the Crystal Structure of the Lectin Domain From the F17-Like Adhesin, Ucld


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 Lectin Domain From the F17-Like Adhesin, Ucld within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I304

b:35.1
occ:1.00
N A:PRO2 3.6 12.5 1.0
C A:GLY1 3.7 12.0 1.0
CA A:PRO2 3.9 12.4 1.0
CD A:PRO2 4.0 13.4 1.0
O A:HOH445 4.0 25.2 1.0
O A:GLY1 4.0 13.8 1.0
CA A:GLY1 4.1 13.9 1.0
CB A:ALA50 4.3 10.1 1.0
CB A:PRO2 4.5 12.3 1.0
N A:GLY1 4.6 16.6 1.0
CG A:PRO2 4.8 16.2 1.0
N A:ALA50 4.9 11.3 1.0
CA A:ALA50 5.0 10.8 1.0

Iodine binding site 5 out of 6 in 5vq5

Go back to Iodine Binding Sites List in 5vq5
Iodine binding site 5 out of 6 in the Crystal Structure of the Lectin Domain From the F17-Like Adhesin, Ucld


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 Lectin Domain From the F17-Like Adhesin, Ucld within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I305

b:99.1
occ:1.00
O A:HOH554 3.4 46.7 1.0
O A:HOH447 3.5 41.4 1.0
N A:ALA11 3.6 18.0 1.0
CA A:ILE10 3.9 15.6 1.0
O A:ALA11 4.1 21.1 1.0
O A:GLN9 4.2 19.1 1.0
CG1 A:ILE10 4.2 15.8 1.0
C A:ILE10 4.3 18.0 1.0
O B:HOH505 4.3 52.8 1.0
NZ B:LYS64 4.4 39.9 1.0
O A:SER41 4.6 18.6 1.0
CA A:ALA11 4.6 18.3 1.0
CB A:ILE10 4.6 15.9 1.0
CB A:ASN42 4.6 16.4 1.0
O A:HOH453 4.6 27.1 1.0
ND2 A:ASN42 4.7 17.3 1.0
C A:ALA11 4.8 20.1 1.0
CB A:THR40 4.8 23.1 1.0
CB A:ALA11 4.8 20.7 1.0
N A:ILE10 4.9 18.6 1.0
C A:GLN9 4.9 20.2 1.0
OG1 A:THR40 4.9 24.4 1.0

Iodine binding site 6 out of 6 in 5vq5

Go back to Iodine Binding Sites List in 5vq5
Iodine binding site 6 out of 6 in the Crystal Structure of the Lectin Domain From the F17-Like Adhesin, Ucld


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 Lectin Domain From the F17-Like Adhesin, Ucld within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I306

b:0.0
occ:1.00
O A:HOH435 3.1 38.7 1.0
NE1 A:TRP103 3.2 21.5 1.0
CZ2 A:TRP103 3.5 24.3 1.0
CE2 A:TRP103 3.6 23.6 1.0
O A:HOH574 4.0 45.7 1.0
O A:HOH468 4.1 26.6 1.0
CB A:THR134 4.2 19.7 1.0
OG1 A:THR134 4.3 22.4 1.0
CD1 A:TRP103 4.3 20.4 1.0
CG2 A:THR134 4.6 19.9 1.0
CH2 A:TRP103 4.7 24.8 1.0
O A:HOH505 4.8 25.6 1.0
CD2 A:TRP103 4.8 23.4 1.0

Reference:

C.N.Spaulding, R.D.Klein, S.Ruer, A.L.Kau, H.L.Schreiber, Z.T.Cusumano, K.W.Dodson, J.S.Pinkner, D.H.Fremont, J.W.Janetka, H.Remaut, J.I.Gordon, S.J.Hultgren. Selective Depletion of Uropathogenic E. Coli From the Gut By A Fimh Antagonist. Nature V. 546 528 2017.
ISSN: ESSN 1476-4687
PubMed: 28614296
DOI: 10.1038/NATURE22972
Page generated: Sun Dec 13 19:41:38 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy