Bromine in PDB 6gki: Structure of E Coli Mlac in Variously Loaded States

Protein crystallography data

The structure of Structure of E Coli Mlac in Variously Loaded States, PDB code: 6gki was solved by T.J.Knowles, A.L.Lovering, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 52.64 / 2.23
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 105.290, 105.290, 96.410, 90.00, 90.00, 120.00
R / Rfree (%) 19.7 / 23.6

Bromine Binding Sites:

The binding sites of Bromine atom in the Structure of E Coli Mlac in Variously Loaded States (pdb code 6gki). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 10 binding sites of Bromine where determined in the Structure of E Coli Mlac in Variously Loaded States, PDB code: 6gki:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 10 in 6gki

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Bromine binding site 1 out of 10 in the Structure of E Coli Mlac in Variously Loaded States


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Structure of E Coli Mlac in Variously Loaded States within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br301

b:82.1
occ:1.00
 O A:HOH402 2.8 58.5 1.0
CG A:PRO140 3.7 53.1 1.0
CG A:GLN115 3.8 51.7 1.0
CD2 A:HIS113 3.9 67.3 1.0
N A:GLN115 3.9 50.8 1.0
CA A:GLN115 3.9 51.8 1.0
CD A:PRO140 3.9 51.3 1.0
NE2 A:HIS113 4.0 65.7 1.0
CB A:PRO140 4.2 54.0 1.0
O A:HOH430 4.4 52.4 1.0
C A:GLY114 4.4 52.5 1.0
CB A:GLN115 4.4 50.4 1.0
CD A:GLN115 4.4 50.8 1.0
OE1 A:GLN115 4.6 51.0 1.0
O A:GLY114 4.7 53.8 1.0

Bromine binding site 2 out of 10 in 6gki

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Bromine binding site 2 out of 10 in the Structure of E Coli Mlac in Variously Loaded States


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Structure of E Coli Mlac in Variously Loaded States within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br302

b:0.1
occ:1.00
 NH1 A:ARG90 3.9 59.4 1.0
NH2 A:ARG90 4.0 64.0 1.0
NZ A:LYS83 4.2 81.0 1.0
CZ A:ARG90 4.4 59.1 1.0
CE A:LYS83 4.5 75.8 1.0
CD A:LYS83 5.0 70.9 1.0

Bromine binding site 3 out of 10 in 6gki

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Bromine binding site 3 out of 10 in the Structure of E Coli Mlac in Variously Loaded States


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Structure of E Coli Mlac in Variously Loaded States within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br303

b:0.3
occ:1.00
 O A:HOH408 3.4 51.9 1.0
CA A:ALA96 3.7 49.5 1.0
N A:ALA96 3.8 48.7 1.0
C A:ALA95 4.0 49.4 1.0
CB A:ALA96 4.1 50.1 1.0
O A:ALA95 4.1 51.0 1.0
CG A:GLU99 4.1 59.7 1.0
CB A:ALA95 4.5 45.5 1.0
CG A:LYS198 4.6 75.3 1.0
CD A:LYS198 4.7 81.6 1.0
CB A:GLU99 4.9 54.6 1.0
CA A:ALA95 4.9 46.8 1.0

Bromine binding site 4 out of 10 in 6gki

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Bromine binding site 4 out of 10 in the Structure of E Coli Mlac in Variously Loaded States


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Structure of E Coli Mlac in Variously Loaded States within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br304

b:1.0
occ:1.00
 O A:TYR117 3.8 48.5 1.0
CZ A:TYR117 3.8 47.2 1.0
CE2 A:TYR117 4.0 45.1 1.0
CE1 A:TYR117 4.1 46.5 1.0
OH A:TYR117 4.1 48.5 1.0
CD2 A:TYR117 4.4 44.5 1.0
CD1 A:TYR117 4.5 46.9 1.0
CG A:TYR117 4.6 45.2 1.0
O A:HOH455 4.8 64.6 1.0
C A:TYR117 4.8 49.4 1.0

Bromine binding site 5 out of 10 in 6gki

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Bromine binding site 5 out of 10 in the Structure of E Coli Mlac in Variously Loaded States


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Structure of E Coli Mlac in Variously Loaded States within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br305

b:0.2
occ:1.00
 CA A:ARG143 3.7 65.9 1.0
CG A:ARG143 3.7 74.4 1.0
CD A:PRO144 3.8 69.7 1.0
CB A:ARG143 3.9 66.7 1.0
N A:ARG143 4.6 60.9 1.0
N A:PRO144 4.7 63.9 1.0
CD A:ARG143 4.7 78.1 1.0
O A:GLY142 4.7 58.6 1.0
C A:ARG143 4.7 61.4 1.0
CG A:PRO144 4.9 68.5 1.0
NE A:ARG143 5.0 85.7 1.0

Bromine binding site 6 out of 10 in 6gki

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Bromine binding site 6 out of 10 in the Structure of E Coli Mlac in Variously Loaded States


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Structure of E Coli Mlac in Variously Loaded States within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br306

b:0.7
occ:1.00
 OG1 A:THR158 3.4 51.8 1.0
ND2 A:ASN155 3.8 49.0 1.0
ND2 A:ASN160 3.9 51.7 1.0
CG2 A:THR158 3.9 53.3 1.0
CB A:ASN160 4.0 49.6 1.0
CB A:THR158 4.0 53.2 1.0
CB A:ASN155 4.3 46.8 1.0
CG A:ASN155 4.4 47.4 1.0
CG A:ASN160 4.5 54.0 1.0

Bromine binding site 7 out of 10 in 6gki

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Bromine binding site 7 out of 10 in the Structure of E Coli Mlac in Variously Loaded States


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Structure of E Coli Mlac in Variously Loaded States within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br301

b:0.4
occ:1.00
 NE2 B:GLN48 2.5 76.3 1.0
O B:ASN44 3.5 61.1 1.0
CD B:GLN48 3.8 83.5 1.0
CA B:GLU45 4.0 62.2 1.0
CG B:PRO47 4.1 68.5 1.0
CD B:PRO47 4.2 66.4 1.0
OE1 B:GLN48 4.3 88.6 1.0
CG B:GLU45 4.5 67.2 1.0
C B:ASN44 4.5 56.1 1.0
O B:HOH417 4.5 60.2 1.0
CB B:PRO47 4.5 68.8 1.0
CB B:GLU45 4.5 64.5 1.0
N B:GLU45 4.7 56.8 1.0
C B:GLU45 4.8 63.9 1.0
CG B:GLN48 4.9 77.8 1.0

Bromine binding site 8 out of 10 in 6gki

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Bromine binding site 8 out of 10 in the Structure of E Coli Mlac in Variously Loaded States


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Structure of E Coli Mlac in Variously Loaded States within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br302

b:0.4
occ:1.00
 OD1 B:ASN44 3.0 54.5 1.0
CG B:ASN44 3.8 54.0 1.0
ND2 B:ASN44 3.8 55.4 1.0

Bromine binding site 9 out of 10 in 6gki

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Bromine binding site 9 out of 10 in the Structure of E Coli Mlac in Variously Loaded States


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of Structure of E Coli Mlac in Variously Loaded States within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br303

b:0.4
occ:1.00
 NZ B:LYS43 3.8 70.6 1.0
CA B:ASP40 4.0 57.6 1.0
ND2 B:ASN44 4.0 55.4 1.0
CD B:LYS43 4.2 60.8 1.0
OD1 B:ASP40 4.4 58.4 1.0
CE B:LYS43 4.5 65.7 1.0
CB B:ASP40 4.5 58.5 1.0
CB B:LYS43 4.6 57.6 1.0
N B:ASP40 4.6 56.8 1.0
O B:PHE39 4.7 57.6 1.0
C B:PHE39 4.9 58.1 1.0
O B:ASP40 5.0 57.4 1.0
CG B:LYS43 5.0 60.3 1.0
CG B:ASP40 5.0 60.0 1.0

Bromine binding site 10 out of 10 in 6gki

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Bromine binding site 10 out of 10 in the Structure of E Coli Mlac in Variously Loaded States


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of Structure of E Coli Mlac in Variously Loaded States within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br304

b:0.7
occ:1.00
 CA B:ALA96 3.7 51.3 1.0
N B:ALA96 3.9 53.1 1.0
CB B:ALA96 4.1 51.4 1.0
CE B:LYS198 4.1 84.7 1.0
CG B:GLU99 4.1 65.2 1.0
C B:ALA95 4.1 54.2 1.0
O B:ALA95 4.1 51.9 1.0
CG B:LYS198 4.4 77.2 1.0
CD B:LYS198 4.4 82.7 1.0
NZ B:LYS198 4.6 89.0 1.0
CB B:GLU99 4.7 60.9 1.0
CB B:ALA95 4.7 53.2 1.0
CB B:LYS198 4.9 72.2 1.0
C B:ALA96 5.0 51.6 1.0

Reference:

G.W.Hughes, S.C.L.Hall, C.S.Laxton, P.Sridhar, A.H.Mahadi, C.Hatton, T.J.Piggot, P.J.Wotherspoon, A.C.Leney, D.G.Ward, M.Jamshad, V.Spana, I.T.Cadby, C.Harding, G.L.Isom, J.A.Bryant, R.J.Parr, Y.Yakub, M.Jeeves, D.Huber, I.R.Henderson, L.A.Clifton, A.L.Lovering, T.J.Knowles. Evidence For Phospholipid Export From the Bacterial Inner Membrane By the Mla Abc Transport System. Nat Microbiol V. 4 1692 2019.
ISSN: ESSN 2058-5276
PubMed: 31235958
DOI: 10.1038/S41564-019-0481-Y
Page generated: Sat Dec 12 02:33:48 2020

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