Iodine in PDB 6p5t: Surface-Layer (S-Layer) Rsaa Protein From Caulobacter Crescentus Bound to Strontium and Iodide

Protein crystallography data

The structure of Surface-Layer (S-Layer) Rsaa Protein From Caulobacter Crescentus Bound to Strontium and Iodide, PDB code: 6p5t was solved by A.C.Chan, J.Herrmann, J.Smit, S.Wakatsuki, M.E.Murphy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.30 / 2.10
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 210.729, 80.564, 221.833, 90.00, 117.44, 90.00
R / Rfree (%) 20.6 / 24.3

Other elements in 6p5t:

The structure of Surface-Layer (S-Layer) Rsaa Protein From Caulobacter Crescentus Bound to Strontium and Iodide also contains other interesting chemical elements:

Strontium (Sr) 124 atoms

Iodine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 40; Page 5, Binding sites: 41 - 50; Page 6, Binding sites: 51 - 60; Page 7, Binding sites: 61 - 70; Page 8, Binding sites: 71 - 80; Page 9, Binding sites: 81 - 90; Page 10, Binding sites: 91 - 100; Page 11, Binding sites: 101 - 110; Page 12, Binding sites: 111 - 120; Page 13, Binding sites: 121 - 130; Page 14, Binding sites: 131 - 140; Page 15, Binding sites: 141 - 150;

Binding sites:

The binding sites of Iodine atom in the Surface-Layer (S-Layer) Rsaa Protein From Caulobacter Crescentus Bound to Strontium and Iodide (pdb code 6p5t). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 150 binding sites of Iodine where determined in the Surface-Layer (S-Layer) Rsaa Protein From Caulobacter Crescentus Bound to Strontium and Iodide, PDB code: 6p5t:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 150 in 6p5t

Go back to Iodine Binding Sites List in 6p5t
Iodine binding site 1 out of 150 in the Surface-Layer (S-Layer) Rsaa Protein From Caulobacter Crescentus Bound to Strontium and Iodide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Surface-Layer (S-Layer) Rsaa Protein From Caulobacter Crescentus Bound to Strontium and Iodide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I1101

b:42.9
occ:1.00
 O A:HOH1711 3.3 26.4 1.0
O A:HOH1595 3.5 23.9 1.0
CD A:ARG702 4.1 23.5 1.0
CA A:GLY723 4.2 32.2 1.0
CB A:LEU743 4.3 26.6 1.0
CB A:ALA704 4.3 21.4 1.0
CD1 A:LEU743 4.4 28.2 1.0
NH1 A:ARG702 4.5 23.0 1.0
NE A:ARG702 4.6 23.4 1.0
O A:HOH2136 4.7 30.9 1.0
CZ A:ARG702 4.8 23.3 1.0
CB A:ALA744 4.9 22.8 1.0
N A:GLY723 4.9 33.1 1.0

Iodine binding site 2 out of 150 in 6p5t

Go back to Iodine Binding Sites List in 6p5t
Iodine binding site 2 out of 150 in the Surface-Layer (S-Layer) Rsaa Protein From Caulobacter Crescentus Bound to Strontium and Iodide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Surface-Layer (S-Layer) Rsaa Protein From Caulobacter Crescentus Bound to Strontium and Iodide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I1102

b:45.0
occ:0.94
 O A:HOH1921 3.2 19.1 1.0
O A:HOH1312 3.5 10.6 1.0
O A:PHE695 3.9 33.2 1.0
O A:HOH1346 3.9 3.1 1.0
C A:PHE695 3.9 31.6 1.0
N A:GLY696 3.9 28.0 1.0
CA A:GLY696 3.9 29.0 1.0
CB A:PHE695 4.0 29.2 1.0
O A:HOH2162 4.1 30.9 1.0
CB A:PHE698 4.1 29.8 1.0
N A:PHE698 4.1 31.5 1.0
O A:PHE698 4.2 31.1 1.0
C A:GLY696 4.2 27.8 1.0
CZ A:PHE717 4.3 26.8 1.0
CD2 A:PHE698 4.3 30.6 1.0
O A:HOH1751 4.3 32.6 1.0
N A:GLY697 4.4 26.5 1.0
CE1 A:PHE717 4.5 26.3 1.0
CA A:PHE698 4.6 30.3 1.0
CA A:PHE695 4.6 30.6 1.0
CB A:PHE689 4.7 28.1 1.0
CG A:PHE698 4.7 29.8 1.0
O A:GLY696 4.9 26.7 1.0
C A:PHE698 4.9 30.6 1.0
CD2 A:LEU680 4.9 29.6 1.0
O A:PHE689 5.0 31.7 1.0

Iodine binding site 3 out of 150 in 6p5t

Go back to Iodine Binding Sites List in 6p5t
Iodine binding site 3 out of 150 in the Surface-Layer (S-Layer) Rsaa Protein From Caulobacter Crescentus Bound to Strontium and Iodide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Surface-Layer (S-Layer) Rsaa Protein From Caulobacter Crescentus Bound to Strontium and Iodide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I1103

b:42.4
occ:0.73
 N A:GLY315 3.6 21.9 1.0
OG1 A:THR336 3.9 30.6 1.0
O A:THR336 3.9 27.1 1.0
CA A:GLY315 4.0 22.8 1.0
CA A:GLY337 4.1 26.8 1.0
C A:THR336 4.2 27.2 1.0
N A:GLY337 4.3 27.1 1.0
CB A:SER314 4.5 28.1 1.0
CB A:THR336 4.6 29.7 1.0
C A:SER314 4.6 26.4 1.0
SR A:SR1148 4.8 60.0 0.7
CA A:SER314 4.8 26.6 1.0
O A:HOH1535 4.9 43.4 1.0

Iodine binding site 4 out of 150 in 6p5t

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Iodine binding site 4 out of 150 in the Surface-Layer (S-Layer) Rsaa Protein From Caulobacter Crescentus Bound to Strontium and Iodide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Surface-Layer (S-Layer) Rsaa Protein From Caulobacter Crescentus Bound to Strontium and Iodide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I1104

b:42.6
occ:0.72
 N A:GLY652 3.6 35.1 1.0
CA A:GLY674 3.7 28.0 1.0
O A:HOH1897 3.9 18.4 1.0
CB A:VAL650 3.9 33.3 1.0
CA A:GLY652 3.9 35.9 1.0
N A:GLY674 4.2 26.9 1.0
N A:MET651 4.2 30.5 1.0
CG1 A:VAL650 4.2 34.6 1.0
OD1 A:ASN672 4.3 37.2 1.0
CA A:VAL650 4.4 31.7 1.0
O A:ASN672 4.4 32.2 1.0
CB A:ASN672 4.5 36.2 1.0
CG A:ASN672 4.6 37.6 1.0
C A:VAL650 4.6 30.7 1.0
C A:MET651 4.7 29.3 1.0
C A:GLY652 4.8 35.5 1.0
O A:HOH1890 4.8 30.9 1.0
C A:GLY673 5.0 32.9 1.0

Iodine binding site 5 out of 150 in 6p5t

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Iodine binding site 5 out of 150 in the Surface-Layer (S-Layer) Rsaa Protein From Caulobacter Crescentus Bound to Strontium and Iodide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Surface-Layer (S-Layer) Rsaa Protein From Caulobacter Crescentus Bound to Strontium and Iodide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I1105

b:46.9
occ:0.80
 N A:GLY983 3.5 42.6 1.0
N A:GLY982 3.9 40.2 1.0
O A:GLN980 4.0 35.9 1.0
CD2 A:LEU1010 4.0 38.5 1.0
CA A:GLY983 4.1 43.0 1.0
C A:GLN980 4.1 34.7 1.0
CA A:PHE981 4.1 37.6 1.0
C A:PHE981 4.1 37.6 1.0
N A:PHE981 4.1 36.8 1.0
O A:HOH1658 4.3 30.9 1.0
CB A:GLN980 4.4 35.0 1.0
C A:GLY982 4.5 40.5 1.0
CA A:GLY982 4.6 40.4 1.0
O A:HOH1423 4.7 17.4 1.0
O A:PHE981 4.9 36.5 1.0
CA A:GLN980 4.9 33.9 1.0
C A:GLY983 5.0 41.5 1.0

Iodine binding site 6 out of 150 in 6p5t

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Iodine binding site 6 out of 150 in the Surface-Layer (S-Layer) Rsaa Protein From Caulobacter Crescentus Bound to Strontium and Iodide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Surface-Layer (S-Layer) Rsaa Protein From Caulobacter Crescentus Bound to Strontium and Iodide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I1106

b:39.5
occ:0.63
 O A:HOH1953 3.3 25.2 1.0
O A:HOH1418 3.3 25.9 1.0
N A:ALA757 3.5 24.7 1.0
CA A:ASN756 4.1 25.3 1.0
CG2 A:THR758 4.1 27.0 1.0
O A:ALA755 4.2 28.7 1.0
C A:ASN756 4.3 24.6 1.0
CA A:ALA757 4.4 24.4 1.0
CB A:ALA757 4.4 23.5 1.0
N A:THR758 4.5 24.6 1.0
OD1 A:ASN756 4.7 28.3 1.0
C A:ALA757 4.7 25.2 1.0
N A:ASN756 4.7 24.2 1.0
O A:HOH1810 4.7 30.9 1.0
C A:ALA755 4.8 27.7 1.0
O A:LEU754 4.9 29.9 1.0

Iodine binding site 7 out of 150 in 6p5t

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Iodine binding site 7 out of 150 in the Surface-Layer (S-Layer) Rsaa Protein From Caulobacter Crescentus Bound to Strontium and Iodide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Surface-Layer (S-Layer) Rsaa Protein From Caulobacter Crescentus Bound to Strontium and Iodide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I1107

b:39.6
occ:0.52
 N A:ALA653 3.5 31.6 1.0
N A:ALA635 3.7 36.4 1.0
C A:GLY634 3.7 31.0 1.0
O A:HOH1891 3.9 29.8 1.0
O A:GLY634 4.0 30.9 1.0
CA A:ALA635 4.0 37.0 1.0
CA A:GLY652 4.0 35.9 1.0
CB A:ALA653 4.1 32.5 1.0
CA A:GLY634 4.2 30.9 1.0
CB A:ALA635 4.3 37.8 1.0
C A:GLY652 4.3 35.5 1.0
CA A:ALA653 4.4 31.2 1.0
O A:HOH2177 4.7 38.2 1.0
O A:GLY633 4.8 26.7 1.0
O A:HOH1897 4.9 18.4 1.0

Iodine binding site 8 out of 150 in 6p5t

Go back to Iodine Binding Sites List in 6p5t
Iodine binding site 8 out of 150 in the Surface-Layer (S-Layer) Rsaa Protein From Caulobacter Crescentus Bound to Strontium and Iodide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Surface-Layer (S-Layer) Rsaa Protein From Caulobacter Crescentus Bound to Strontium and Iodide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I1108

b:43.7
occ:0.53
 N A:GLY357 3.3 28.2 1.0
O A:HOH1240 3.3 39.6 1.0
O A:HOH1366 3.7 24.5 1.0
CA A:GLY357 3.8 27.9 1.0
N A:ALA356 3.9 37.0 1.0
C A:GLY355 3.9 29.7 1.0
CA A:GLY355 3.9 29.9 1.0
NE2 A:GLN358 4.0 25.9 1.0
CG A:GLN358 4.1 24.0 1.0
O A:HOH1819 4.1 16.5 1.0
O A:HOH2023 4.2 30.9 1.0
C A:GLY357 4.2 26.7 1.0
CD A:GLN358 4.3 24.6 1.0
C A:ALA356 4.4 36.5 1.0
O A:GLY355 4.4 28.6 1.0
N A:GLN358 4.4 23.6 1.0
CA A:ALA356 4.7 37.0 1.0
O A:HOH1885 4.8 28.6 1.0
O A:GLY357 4.9 26.9 1.0

Iodine binding site 9 out of 150 in 6p5t

Go back to Iodine Binding Sites List in 6p5t
Iodine binding site 9 out of 150 in the Surface-Layer (S-Layer) Rsaa Protein From Caulobacter Crescentus Bound to Strontium and Iodide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 9 of Surface-Layer (S-Layer) Rsaa Protein From Caulobacter Crescentus Bound to Strontium and Iodide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I1109

b:38.9
occ:0.52
 O A:GLY246 3.2 91.3 1.0
O B:HOH1362 3.4 22.6 1.0
N A:SER248 3.7 45.9 1.0
O B:HOH1833 3.7 24.8 1.0
CA A:VAL247 3.9 47.7 1.0
CB B:ALA303 4.0 17.4 1.0
C A:GLY246 4.2 90.3 1.0
C A:VAL247 4.3 45.7 1.0
CG2 B:THR305 4.4 24.1 1.0
CB A:SER248 4.5 46.8 1.0
N A:VAL247 4.5 49.7 1.0
CB B:ALA326 4.6 20.0 1.0
CA A:SER248 4.7 45.4 1.0
CB A:VAL247 4.8 46.2 1.0
CG1 A:VAL247 4.9 45.1 1.0
O A:HOH1784 4.9 43.8 1.0
O B:HOH2089 4.9 44.4 1.0

Iodine binding site 10 out of 150 in 6p5t

Go back to Iodine Binding Sites List in 6p5t
Iodine binding site 10 out of 150 in the Surface-Layer (S-Layer) Rsaa Protein From Caulobacter Crescentus Bound to Strontium and Iodide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 10 of Surface-Layer (S-Layer) Rsaa Protein From Caulobacter Crescentus Bound to Strontium and Iodide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I1110

b:39.5
occ:0.47
 CB A:THR255 3.6 23.0 1.0
N A:THR256 3.7 22.4 1.0
CA A:THR255 3.8 21.8 1.0
CG1 A:VAL275 3.9 36.8 1.0
O A:HOH1645 4.0 40.8 1.0
CG2 A:VAL275 4.1 32.6 1.0
CG2 A:THR256 4.1 24.9 1.0
CG2 A:THR255 4.2 22.9 1.0
CB A:VAL275 4.2 34.4 1.0
C A:THR255 4.3 22.2 1.0
OG1 A:THR256 4.4 27.6 1.0
CB A:THR256 4.7 25.1 1.0
CA A:THR256 4.8 22.9 1.0
OG1 A:THR255 4.8 22.9 1.0
O A:LEU254 4.9 27.5 1.0

Reference:

J.Herrmann, P.N.Li, F.Jabbarpour, A.C.K.Chan, I.Rajkovic, T.Matsui, L.Shapiro, J.Smit, T.M.Weiss, M.E.P.Murphy, S.Wakatsuki. A Bacterial Surface Layer Protein Exploits Multistep Crystallization For Rapid Self-Assembly. Proc.Natl.Acad.Sci.Usa 2019.
ISSN: ESSN 1091-6490
PubMed: 31848245
DOI: 10.1073/PNAS.1909798116
Page generated: Sun Dec 13 19:47:16 2020

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