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Bromine in PDB 8arc: Heterologous Complex of Aeromonas Hydrophila Type III Secretion Substrate Ascx with Photorhabdus Luminescens Subsp. Laumondii Lscy

Protein crystallography data

The structure of Heterologous Complex of Aeromonas Hydrophila Type III Secretion Substrate Ascx with Photorhabdus Luminescens Subsp. Laumondii Lscy, PDB code: 8arc was solved by D.Gilzer, H.H.Niemann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.75 / 2.10
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 90.59, 34.22, 99.6, 90, 101.81, 90
R / Rfree (%) 22.9 / 28.6

Bromine Binding Sites:

The binding sites of Bromine atom in the Heterologous Complex of Aeromonas Hydrophila Type III Secretion Substrate Ascx with Photorhabdus Luminescens Subsp. Laumondii Lscy (pdb code 8arc). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 6 binding sites of Bromine where determined in the Heterologous Complex of Aeromonas Hydrophila Type III Secretion Substrate Ascx with Photorhabdus Luminescens Subsp. Laumondii Lscy, PDB code: 8arc:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6;

Bromine binding site 1 out of 6 in 8arc

Go back to Bromine Binding Sites List in 8arc
Bromine binding site 1 out of 6 in the Heterologous Complex of Aeromonas Hydrophila Type III Secretion Substrate Ascx with Photorhabdus Luminescens Subsp. Laumondii Lscy


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Heterologous Complex of Aeromonas Hydrophila Type III Secretion Substrate Ascx with Photorhabdus Luminescens Subsp. Laumondii Lscy within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br201

b:64.6
occ:0.51
NH2 A:ARG28 2.9 82.2 1.0
NH1 A:ARG28 3.0 55.7 1.0
N D:GLN90 3.2 70.9 1.0
CZ A:ARG28 3.4 53.9 1.0
CE A:MET60 3.8 56.5 1.0
CH2 A:MLY57 3.8 73.8 1.0
CE A:MLY57 3.8 57.9 1.0
CA D:GLY89 3.9 84.6 1.0
CD1 D:LEU94 3.9 60.3 1.0
N D:SER91 4.0 75.8 1.0
NZ A:MLY57 4.1 73.7 1.0
C D:GLY89 4.1 80.8 1.0
CA D:GLN90 4.1 70.6 1.0
CB D:GLN90 4.2 76.1 1.0
C D:GLN90 4.5 77.1 1.0
CD A:MLY57 4.6 54.9 1.0
CG D:GLN90 4.6 83.1 1.0
CE C:MET1 4.6 105.9 1.0
OG D:SER91 4.7 63.5 1.0
NE A:ARG28 4.7 59.9 1.0
CB D:SER91 4.8 68.6 1.0
CG C:MET1 4.8 69.5 1.0
SD A:MET60 4.8 62.2 1.0
O D:GLU88 4.9 85.9 1.0
SD C:MET1 5.0 73.5 1.0
CG A:MLY57 5.0 59.3 1.0

Bromine binding site 2 out of 6 in 8arc

Go back to Bromine Binding Sites List in 8arc
Bromine binding site 2 out of 6 in the Heterologous Complex of Aeromonas Hydrophila Type III Secretion Substrate Ascx with Photorhabdus Luminescens Subsp. Laumondii Lscy


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Heterologous Complex of Aeromonas Hydrophila Type III Secretion Substrate Ascx with Photorhabdus Luminescens Subsp. Laumondii Lscy within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br202

b:68.1
occ:0.47
CB A:MET1 2.9 79.8 1.0
N A:MET1 3.2 67.1 1.0
CA C:MLY57 3.5 38.7 1.0
CA A:MET1 3.5 73.7 1.0
OE2 C:GLU89 3.6 99.5 1.0
C C:MLY57 3.6 50.3 1.0
CB C:SER59 3.8 63.5 1.0
N C:SER59 3.8 52.9 1.0
O A:MET1 3.8 75.9 1.0
CD C:MLY57 3.8 68.7 1.0
CB C:MLY57 3.9 47.9 1.0
N C:GLY58 4.0 54.8 1.0
N C:MET60 4.0 47.2 1.0
C A:MET1 4.0 80.7 1.0
CG A:MET1 4.1 80.2 1.0
O C:MLY57 4.1 48.6 1.0
CA C:SER59 4.2 56.5 1.0
OG C:SER59 4.3 71.2 1.0
C A:GLY0 4.4 89.0 1.0
CG C:MET60 4.4 61.7 1.0
O C:GLN56 4.5 76.9 1.0
CG C:MLY57 4.5 48.8 1.0
CD C:GLU89 4.6 96.6 1.0
C C:SER59 4.6 50.9 1.0
CB C:MET60 4.7 53.5 1.0
C C:GLY58 4.7 45.6 1.0
N C:MLY57 4.7 57.6 1.0
CA A:GLY0 4.7 97.0 1.0
CA C:GLY58 4.9 54.2 1.0
CA C:MET60 5.0 46.5 1.0

Bromine binding site 3 out of 6 in 8arc

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Bromine binding site 3 out of 6 in the Heterologous Complex of Aeromonas Hydrophila Type III Secretion Substrate Ascx with Photorhabdus Luminescens Subsp. Laumondii Lscy


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Heterologous Complex of Aeromonas Hydrophila Type III Secretion Substrate Ascx with Photorhabdus Luminescens Subsp. Laumondii Lscy within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br203

b:69.7
occ:0.43
CB C:MET1 3.2 75.9 1.0
OE2 A:GLU89 3.2 87.0 1.0
N C:MET1 3.3 82.1 1.0
CA A:MLY57 3.5 56.5 1.0
N A:SER59 3.5 50.8 1.0
C A:MLY57 3.5 50.4 1.0
CB A:SER59 3.6 55.0 1.0
CA C:MET1 3.7 62.1 1.0
N A:GLY58 3.7 48.9 1.0
O C:MET1 3.9 66.3 1.0
CB A:MLY57 4.0 56.9 1.0
OG A:SER59 4.0 65.3 1.0
CD A:MLY57 4.1 54.9 1.0
O A:MLY57 4.1 44.1 1.0
N A:MET60 4.1 41.7 1.0
CA A:SER59 4.1 43.5 1.0
C C:MET1 4.1 73.0 1.0
CD A:GLU89 4.3 87.8 1.0
O A:GLN56 4.3 52.8 1.0
C C:GLY0 4.4 90.2 1.0
CG C:MET1 4.4 69.5 1.0
C A:GLY58 4.5 55.0 1.0
CA C:GLY0 4.6 96.2 1.0
CE A:MET60 4.6 56.5 1.0
CA A:GLY58 4.6 48.7 1.0
C A:SER59 4.7 40.9 1.0
N A:MLY57 4.7 59.0 1.0
CG A:MLY57 4.7 59.3 1.0
OE1 A:GLU89 4.8 95.4 1.0
CG A:MET60 4.9 53.5 1.0
C A:GLN56 5.0 49.1 1.0

Bromine binding site 4 out of 6 in 8arc

Go back to Bromine Binding Sites List in 8arc
Bromine binding site 4 out of 6 in the Heterologous Complex of Aeromonas Hydrophila Type III Secretion Substrate Ascx with Photorhabdus Luminescens Subsp. Laumondii Lscy


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Heterologous Complex of Aeromonas Hydrophila Type III Secretion Substrate Ascx with Photorhabdus Luminescens Subsp. Laumondii Lscy within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br204

b:73.7
occ:0.43
CH2 A:MLY6 3.3 80.3 1.0
CE A:MLY6 3.3 90.9 1.0
OG A:SER4 3.4 62.6 1.0
NZ A:MLY6 3.8 87.5 1.0
CG A:GLN7 4.0 66.9 1.0
CB A:MLY6 4.0 61.3 1.0
NE2 A:GLN7 4.0 56.1 1.0
CA B:ALA78 4.1 65.7 1.0
O B:GLN77 4.2 86.7 1.0
N B:ALA78 4.4 68.6 1.0
CD A:GLN7 4.4 57.7 1.0
C B:GLN77 4.4 72.8 1.0
CB B:ALA78 4.5 61.7 1.0
CD A:MLY6 4.5 91.9 1.0
CB A:SER4 4.5 57.7 1.0
N A:GLN7 4.7 53.7 1.0
CG A:MLY6 4.8 85.3 1.0
CB B:GLN77 5.0 92.0 1.0
CA A:MLY6 5.0 72.6 1.0

Bromine binding site 5 out of 6 in 8arc

Go back to Bromine Binding Sites List in 8arc
Bromine binding site 5 out of 6 in the Heterologous Complex of Aeromonas Hydrophila Type III Secretion Substrate Ascx with Photorhabdus Luminescens Subsp. Laumondii Lscy


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Heterologous Complex of Aeromonas Hydrophila Type III Secretion Substrate Ascx with Photorhabdus Luminescens Subsp. Laumondii Lscy within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Br201

b:64.3
occ:0.55
NH2 C:ARG28 2.7 85.0 1.0
NH1 C:ARG28 3.0 58.2 1.0
N B:GLN90 3.2 74.0 1.0
CZ C:ARG28 3.3 68.3 1.0
N B:SER91 3.8 70.9 1.0
CE C:MLY57 3.9 69.3 1.0
CD1 B:LEU94 4.0 61.2 1.0
CH2 C:MLY57 4.0 75.8 1.0
CA B:GLY89 4.0 73.5 1.0
CA B:GLN90 4.0 77.0 1.0
CB B:GLN90 4.1 81.6 1.0
C B:GLY89 4.1 78.5 1.0
NZ C:MLY57 4.2 83.8 1.0
C B:GLN90 4.4 74.7 1.0
CE A:MET1 4.5 97.6 1.0
OG B:SER91 4.5 74.0 1.0
CB B:SER91 4.5 67.0 1.0
SD C:MET60 4.6 54.6 1.0
CD C:MLY57 4.6 68.7 1.0
CG B:GLN90 4.6 85.7 1.0
NE C:ARG28 4.6 62.9 1.0
CA B:SER91 4.8 69.7 1.0
CG A:MET1 4.9 80.2 1.0
SD A:MET1 4.9 72.1 1.0
CG C:MLY57 4.9 48.8 1.0

Bromine binding site 6 out of 6 in 8arc

Go back to Bromine Binding Sites List in 8arc
Bromine binding site 6 out of 6 in the Heterologous Complex of Aeromonas Hydrophila Type III Secretion Substrate Ascx with Photorhabdus Luminescens Subsp. Laumondii Lscy


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Heterologous Complex of Aeromonas Hydrophila Type III Secretion Substrate Ascx with Photorhabdus Luminescens Subsp. Laumondii Lscy within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Br202

b:66.8
occ:0.41
OG C:SER4 3.3 60.6 1.0
CB C:MLY6 3.7 65.9 1.0
CD C:MLY6 3.9 71.2 1.0
NE2 C:GLN7 3.9 57.7 1.0
CG C:GLN7 4.0 59.3 1.0
CA D:ALA78 4.2 74.9 1.0
O D:GLN77 4.2 80.1 1.0
CD C:GLN7 4.3 64.5 1.0
CG C:MLY6 4.3 78.0 1.0
CH2 C:MLY6 4.4 88.2 1.0
CB C:SER4 4.4 63.1 1.0
N D:ALA78 4.5 76.3 1.0
C D:GLN77 4.6 79.4 1.0
CB D:ALA78 4.6 72.0 1.0
N C:GLN7 4.6 62.9 1.0
CA C:MLY6 4.9 67.8 1.0
CE C:MLY6 5.0 90.9 1.0

Reference:

D.Gilzer, J.L.Kowal, F.Flotmann, H.H.Niemann. Heterologous Complex of Aeromonas Hydrophila Type III Secretion Substrate Ascx with Photorhabdus Luminescens Subsp. Laumondii Lscy To Be Published.
Page generated: Thu Jul 11 04:52:17 2024

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