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Bromine in PDB 5amt: Intracellular Growth Locus Protein E

Protein crystallography data

The structure of Intracellular Growth Locus Protein E, PDB code: 5amt was solved by C.S.Robb, F.E.Nano, A.B.Boraston, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.02 / 1.62
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 43.310, 89.610, 47.750, 90.00, 90.00, 90.00
R / Rfree (%) 16.453 / 19.406

Bromine Binding Sites:

The binding sites of Bromine atom in the Intracellular Growth Locus Protein E (pdb code 5amt). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 10 binding sites of Bromine where determined in the Intracellular Growth Locus Protein E, PDB code: 5amt:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 10 in 5amt

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Bromine binding site 1 out of 10 in the Intracellular Growth Locus Protein E


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Intracellular Growth Locus Protein E within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1127

b:14.4
occ:0.50
 OG1 A:THR73 2.8 14.3 1.0
O A:THR73 2.9 14.9 1.0
O A:HOH2089 3.0 21.9 1.0
O A:HOH2043 3.1 30.0 1.0
O A:HOH2047 3.1 23.9 1.0
O A:HOH2046 3.3 36.1 1.0
C A:THR73 3.6 13.3 1.0
CB A:THR73 3.9 13.4 1.0
N A:THR73 4.0 14.2 1.0
CA A:THR73 4.0 15.4 1.0
O A:HOH2088 4.4 22.8 1.0
N A:GLY74 4.6 11.3 1.0
CB A:LYS72 4.6 17.6 1.0
O A:HOH2090 4.8 21.3 1.0
C A:LYS72 4.9 15.0 1.0

Bromine binding site 2 out of 10 in 5amt

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Bromine binding site 2 out of 10 in the Intracellular Growth Locus Protein E


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Intracellular Growth Locus Protein E within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1128

b:27.8
occ:1.00
 N A:GLU100 3.8 14.8 1.0
CA A:GLU100 3.8 14.7 1.0
CE A:LYS98 3.8 37.6 1.0
CB A:GLU100 4.1 16.3 1.0
C A:THR99 4.1 16.4 1.0
O A:HOH2126 4.2 37.1 1.0
NZ A:LYS98 4.3 44.0 1.0
CD A:LYS98 4.3 38.6 1.0
O A:THR99 4.5 15.6 1.0
CG A:GLU100 4.7 18.0 1.0
CA A:THR99 4.7 18.7 1.0
O A:HOH2123 4.7 35.5 1.0
CG A:LYS98 4.9 37.8 1.0
O A:HOH2124 4.9 29.6 1.0
O A:HOH2064 5.0 27.1 1.0

Bromine binding site 3 out of 10 in 5amt

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Bromine binding site 3 out of 10 in the Intracellular Growth Locus Protein E


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Intracellular Growth Locus Protein E within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1129

b:37.8
occ:1.00
 O A:HOH2086 3.0 38.5 1.0
N A:ASN70 3.3 11.1 1.0
O A:HOH2084 3.5 15.6 1.0
CB A:ASN70 3.8 13.0 1.0
CG A:ASN70 3.9 15.1 1.0
O A:HOH2029 3.9 16.7 1.0
CA A:LEU69 4.1 10.5 1.0
ND2 A:ASN70 4.1 22.2 1.0
OD1 A:ASN70 4.2 27.7 1.0
C A:LEU69 4.2 9.9 1.0
CA A:ASN70 4.2 10.4 1.0
O A:VAL68 4.3 10.3 1.0
CD2 A:LEU69 4.7 14.9 1.0
CB A:LEU69 4.9 11.6 1.0

Bromine binding site 4 out of 10 in 5amt

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Bromine binding site 4 out of 10 in the Intracellular Growth Locus Protein E


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Intracellular Growth Locus Protein E within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1130

b:49.1
occ:1.00
 OG1 A:THR99 3.1 21.8 1.0
N A:ASN101 3.3 13.2 1.0
N A:ILE122 3.4 13.7 1.0
CB A:ASN101 3.5 14.6 1.0
CA A:SER121 3.7 15.6 1.0
ND2 A:ASN101 3.7 16.4 1.0
N A:GLU100 3.8 14.8 1.0
CA A:ASN101 3.9 12.4 1.0
CB A:SER121 3.9 17.2 1.0
O A:ILE122 4.0 16.0 1.0
CG2 A:THR99 4.0 19.8 1.0
C A:SER121 4.1 14.0 1.0
CG A:ASN101 4.1 14.6 1.0
CB A:THR99 4.2 18.8 1.0
CB A:GLU100 4.2 16.3 1.0
CA A:GLU100 4.2 14.7 1.0
C A:GLU100 4.3 13.6 1.0
O A:HOH2126 4.4 37.1 1.0
C A:ASN101 4.4 12.7 1.0
O A:ASN101 4.4 12.5 1.0
CA A:ILE122 4.4 14.2 1.0
C A:THR99 4.4 16.4 1.0
CB A:ILE122 4.5 14.2 1.0
C A:ILE122 4.7 15.0 1.0
O A:SER120 4.8 17.2 1.0
CA A:THR99 4.8 18.7 1.0
CG1 A:ILE122 4.9 14.7 1.0
N A:SER121 4.9 13.7 1.0

Bromine binding site 5 out of 10 in 5amt

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Bromine binding site 5 out of 10 in the Intracellular Growth Locus Protein E


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Intracellular Growth Locus Protein E within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1131

b:57.7
occ:1.00
 O A:HOH2013 3.1 29.5 1.0
O A:HOH2018 3.5 21.8 1.0
CA A:GLY74 3.9 12.0 1.0
CB A:ASN30 4.0 12.9 1.0
N A:ASN31 4.1 9.7 1.0
O A:ASN31 4.2 12.3 1.0
C A:GLY74 4.2 14.1 1.0
N A:GLY74 4.3 11.3 1.0
C A:ASN31 4.3 11.8 1.0
C A:ASN30 4.3 10.8 1.0
O A:GLY74 4.4 14.2 1.0
ND2 A:ASN32 4.4 14.8 1.0
CA A:ASN30 4.4 11.3 1.0
OD1 A:ASN32 4.4 20.1 1.0
CG A:ASN32 4.5 17.1 1.0
CA A:ASN31 4.8 11.4 1.0
CG A:ASN30 4.8 18.6 1.0
N A:ASN32 4.8 12.4 1.0
OD1 A:ASN30 4.9 20.5 1.0

Bromine binding site 6 out of 10 in 5amt

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Bromine binding site 6 out of 10 in the Intracellular Growth Locus Protein E


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Intracellular Growth Locus Protein E within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br1126

b:11.2
occ:0.50
 O A:HOH2053 2.6 35.6 1.0
O B:LYS98 2.7 10.7 1.0
O B:HOH2110 2.8 14.7 1.0
O B:ASN96 2.9 11.6 1.0
OE2 B:GLU100 2.9 16.0 1.0
ND2 B:ASN96 2.9 9.3 1.0
CG B:ASN96 3.4 12.2 1.0
OD1 B:ASN96 3.6 13.9 1.0
CB A:PRO79 3.6 9.6 1.0
CD B:GLU100 3.6 16.5 1.0
C B:ASN96 3.7 11.1 1.0
CG B:GLU100 3.7 14.2 1.0
C B:LYS98 3.8 10.9 1.0
N B:LYS98 3.8 12.3 1.0
O A:HOH2100 4.0 18.4 1.0
CG A:PRO79 4.3 9.0 1.0
CA B:LYS98 4.3 12.3 1.0
N B:ASN96 4.4 11.9 1.0
CA B:ASN96 4.4 11.5 1.0
C B:LYS97 4.4 11.9 1.0
CB B:ASN96 4.5 11.6 1.0
N B:LYS97 4.5 11.3 1.0
CB B:LYS98 4.7 13.6 1.0
CA B:LYS97 4.8 11.5 1.0
O B:HOH2057 4.8 18.7 1.0
CB B:GLU100 4.8 14.3 1.0
OE1 B:GLU100 4.9 17.1 1.0
CA A:PRO79 4.9 9.1 1.0
N B:THR99 5.0 11.0 1.0

Bromine binding site 7 out of 10 in 5amt

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Bromine binding site 7 out of 10 in the Intracellular Growth Locus Protein E


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Intracellular Growth Locus Protein E within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br1127

b:39.7
occ:1.00
 O B:HOH2135 2.9 26.4 1.0
N B:LYS97 3.3 11.3 1.0
O B:HOH2108 3.4 30.3 1.0
CB B:ASN96 3.6 11.6 1.0
CA B:ASN96 3.7 11.5 1.0
CG B:LYS97 3.7 17.9 1.0
CD B:LYS97 3.8 22.7 1.0
O B:HOH2132 3.9 18.8 1.0
C B:ASN96 4.0 11.1 1.0
CB B:LYS97 4.0 13.8 1.0
CA B:LYS97 4.3 11.5 1.0
CE B:LYS97 4.4 27.8 1.0
O B:GLU95 4.9 13.0 1.0
CG B:ASN96 4.9 12.2 1.0
O B:HOH2054 4.9 35.9 1.0
N B:ASN96 5.0 11.9 1.0

Bromine binding site 8 out of 10 in 5amt

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Bromine binding site 8 out of 10 in the Intracellular Growth Locus Protein E


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Intracellular Growth Locus Protein E within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br1128

b:58.6
occ:1.00
 O B:HOH2011 3.0 28.4 1.0
N B:LYS35 3.2 11.9 1.0
CA B:PRO34 3.6 10.7 1.0
O B:LEU71 3.7 14.3 1.0
O B:HOH2084 3.7 24.8 1.0
C B:PRO34 3.9 11.0 1.0
CB B:PRO34 4.0 10.8 1.0
CA B:LYS72 4.1 12.7 1.0
N B:THR73 4.2 11.6 1.0
CA B:LYS35 4.2 11.6 1.0
O B:HOH2029 4.4 17.2 1.0
C B:LYS72 4.4 11.8 1.0
CG2 B:THR73 4.4 13.8 1.0
C B:LEU71 4.6 12.5 1.0
O B:HOH2082 4.6 32.2 1.0
N B:PRO34 4.8 9.9 1.0
CG B:LYS35 4.8 17.9 1.0
N B:LYS72 4.9 12.8 1.0
O B:ILE33 5.0 9.9 1.0
CG B:PRO34 5.0 11.4 1.0

Bromine binding site 9 out of 10 in 5amt

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Bromine binding site 9 out of 10 in the Intracellular Growth Locus Protein E


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of Intracellular Growth Locus Protein E within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br1129

b:51.0
occ:1.00
 O B:HOH2112 2.6 24.8 1.0
N B:ASN101 3.1 12.0 1.0
N B:ILE122 3.2 12.5 1.0
O B:ILE122 3.6 15.4 1.0
CA B:GLU100 3.7 12.2 1.0
CA B:SER121 3.9 13.7 1.0
C B:GLU100 3.9 11.3 1.0
CB B:SER121 3.9 15.0 1.0
CB B:ASN101 4.0 12.6 1.0
ND2 B:ASN101 4.0 18.1 1.0
C B:SER121 4.1 13.4 1.0
CA B:ASN101 4.1 11.9 1.0
O B:ASN101 4.1 9.9 1.0
CA B:ILE122 4.1 11.9 1.0
O B:THR99 4.1 14.2 1.0
CB B:ILE122 4.2 14.8 1.0
C B:ILE122 4.3 14.2 1.0
C B:ASN101 4.4 10.7 1.0
CB B:GLU100 4.4 14.3 1.0
CG B:ASN101 4.5 15.4 1.0
CG1 B:ILE122 4.6 14.5 1.0
O A:HOH2012 4.6 40.0 1.0
O B:SER120 4.8 19.7 1.0
N B:GLU100 4.8 13.7 1.0
CD1 B:ILE122 4.8 16.1 1.0
C B:THR99 4.9 12.3 1.0
CG B:GLU100 4.9 14.2 1.0

Bromine binding site 10 out of 10 in 5amt

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Bromine binding site 10 out of 10 in the Intracellular Growth Locus Protein E


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of Intracellular Growth Locus Protein E within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br1130

b:49.3
occ:1.00
 O B:HOH2091 3.0 24.8 1.0
CD B:PRO79 3.9 15.3 1.0
CD2 B:LEU69 4.2 15.5 1.0
CD B:LYS67 4.2 19.9 1.0
CD1 B:PHE78 4.2 12.4 1.0
CE B:LYS67 4.2 23.6 1.0
CD1 B:LEU69 4.3 17.3 1.0
CG B:PRO79 4.3 15.1 1.0
O B:HOH2088 4.6 32.4 1.0
CB B:PHE78 4.8 12.6 1.0
CG B:LEU69 4.9 13.3 1.0

Reference:

C.S.Robb, F.E.Nano, A.B.Boraston. Cloning, Expression, Purification, Crystallization and Preliminary X-Ray Diffraction Analysis of Intracellular Growth Locus E (Igle) Protein From Francisella Tularensis Subsp. Novicida. Acta Crystallogr.,Sect.F V. 66 1596 2010.
ISSN: ISSN 1744-3091
PubMed: 21139203
DOI: 10.1107/S1744309110034378
Page generated: Wed Jul 10 23:15:33 2024

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