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Fluorine in PDB 3pux: Crystal Structure of An Outward-Facing Mbp-Maltose Transporter Complex Bound to Adp-BEF3

Enzymatic activity of Crystal Structure of An Outward-Facing Mbp-Maltose Transporter Complex Bound to Adp-BEF3

All present enzymatic activity of Crystal Structure of An Outward-Facing Mbp-Maltose Transporter Complex Bound to Adp-BEF3:
3.6.3.19;

Protein crystallography data

The structure of Crystal Structure of An Outward-Facing Mbp-Maltose Transporter Complex Bound to Adp-BEF3, PDB code: 3pux was solved by M.L.Oldham, J.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.81 / 2.30
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 82.130, 97.340, 112.840, 85.58, 78.98, 72.25
R / Rfree (%) 22.8 / 26.5

Other elements in 3pux:

The structure of Crystal Structure of An Outward-Facing Mbp-Maltose Transporter Complex Bound to Adp-BEF3 also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of An Outward-Facing Mbp-Maltose Transporter Complex Bound to Adp-BEF3 (pdb code 3pux). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Crystal Structure of An Outward-Facing Mbp-Maltose Transporter Complex Bound to Adp-BEF3, PDB code: 3pux:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 3pux

Go back to Fluorine Binding Sites List in 3pux
Fluorine binding site 1 out of 6 in the Crystal Structure of An Outward-Facing Mbp-Maltose Transporter Complex Bound to Adp-BEF3


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of An Outward-Facing Mbp-Maltose Transporter Complex Bound to Adp-BEF3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F3001

b:19.9
occ:1.00
 F1 A:BEF3001 0.0 19.9 1.0
BE A:BEF3001 1.5 17.8 1.0
MG A:MG1501 2.1 18.5 1.0
O3B A:ADP2501 2.5 19.8 1.0
F2 A:BEF3001 2.5 20.4 1.0
F3 A:BEF3001 2.5 18.4 1.0
O A:HOH382 2.7 21.1 1.0
O A:HOH383 2.7 20.7 1.0
O2B A:ADP2501 2.8 17.7 1.0
OE1 A:GLN82 3.0 19.3 1.0
PB A:ADP2501 3.2 19.6 1.0
NE2 A:GLN82 3.2 12.8 1.0
CD A:GLN82 3.5 16.0 1.0
N B:GLY136 3.7 17.2 1.0
OE2 A:GLU159 3.8 24.2 1.0
N B:GLY137 3.8 17.4 1.0
O3A A:ADP2501 4.0 18.8 1.0
OG A:SER43 4.1 19.7 1.0
CB B:SER135 4.1 19.5 1.0
CA B:GLY136 4.2 15.5 1.0
OG B:SER135 4.4 20.8 1.0
O1B A:ADP2501 4.4 17.7 1.0
O1A A:ADP2501 4.5 20.0 1.0
C B:GLY136 4.5 16.2 1.0
C B:SER135 4.6 17.9 1.0
CD A:GLU159 4.6 23.3 1.0
NZ A:LYS42 4.7 15.6 1.0
CA B:GLY137 4.8 17.5 1.0
CA B:SER135 4.8 18.8 1.0
NE2 A:HIS192 4.9 18.4 1.0
PA A:ADP2501 4.9 17.4 1.0
N A:GLY39 4.9 19.0 1.0
OE1 A:GLU159 5.0 23.2 1.0

Fluorine binding site 2 out of 6 in 3pux

Go back to Fluorine Binding Sites List in 3pux
Fluorine binding site 2 out of 6 in the Crystal Structure of An Outward-Facing Mbp-Maltose Transporter Complex Bound to Adp-BEF3


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of An Outward-Facing Mbp-Maltose Transporter Complex Bound to Adp-BEF3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F3001

b:20.4
occ:1.00
 F2 A:BEF3001 0.0 20.4 1.0
BE A:BEF3001 1.5 17.8 1.0
O3B A:ADP2501 2.4 19.8 1.0
F1 A:BEF3001 2.5 19.9 1.0
F3 A:BEF3001 2.5 18.4 1.0
NE2 A:HIS192 2.8 18.4 1.0
NZ A:LYS42 3.2 15.6 1.0
CA A:SER38 3.3 17.8 1.0
OE2 A:GLU159 3.4 24.2 1.0
CE1 A:HIS192 3.5 17.3 1.0
PB A:ADP2501 3.6 19.6 1.0
CE A:LYS42 3.7 17.3 1.0
O A:HOH383 3.7 20.7 1.0
OG A:SER38 3.8 15.3 1.0
CB A:SER38 3.8 17.7 1.0
N A:GLY39 3.9 19.0 1.0
CD2 A:HIS192 4.0 18.4 1.0
O2B A:ADP2501 4.0 17.7 1.0
MG A:MG1501 4.1 18.5 1.0
N A:SER38 4.1 19.0 1.0
C A:SER38 4.2 19.2 1.0
O1B A:ADP2501 4.2 17.7 1.0
O B:ASN163 4.4 18.9 1.0
CD A:GLU159 4.5 23.3 1.0
O A:PRO37 4.5 20.5 1.0
N B:GLY137 4.6 17.4 1.0
C A:PRO37 4.7 20.0 1.0
ND1 A:HIS192 4.7 17.2 1.0
CA B:GLY137 4.8 17.5 1.0
O3A A:ADP2501 4.9 18.8 1.0
NE2 A:GLN82 4.9 12.8 1.0
OE1 A:GLU159 5.0 23.2 1.0
CG A:HIS192 5.0 18.0 1.0

Fluorine binding site 3 out of 6 in 3pux

Go back to Fluorine Binding Sites List in 3pux
Fluorine binding site 3 out of 6 in the Crystal Structure of An Outward-Facing Mbp-Maltose Transporter Complex Bound to Adp-BEF3


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of An Outward-Facing Mbp-Maltose Transporter Complex Bound to Adp-BEF3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F3001

b:18.4
occ:1.00
 F3 A:BEF3001 0.0 18.4 1.0
BE A:BEF3001 1.5 17.8 1.0
F2 A:BEF3001 2.5 20.4 1.0
O3B A:ADP2501 2.5 19.8 1.0
F1 A:BEF3001 2.5 19.9 1.0
OG A:SER38 2.7 15.3 1.0
N B:GLY137 2.8 17.4 1.0
OG B:SER135 2.8 20.8 1.0
CA B:GLY137 3.2 17.5 1.0
CB B:SER135 3.3 19.5 1.0
N A:GLY39 3.4 19.0 1.0
CB A:SER38 3.6 17.7 1.0
CA A:SER38 3.6 17.8 1.0
N B:GLY136 3.8 17.2 1.0
N B:GLN138 3.8 19.4 1.0
C A:SER38 3.9 19.2 1.0
PB A:ADP2501 3.9 19.6 1.0
C B:GLY136 3.9 16.2 1.0
C B:GLY137 4.0 17.9 1.0
C B:SER135 4.1 17.9 1.0
CA A:GLY39 4.3 20.9 1.0
O3A A:ADP2501 4.3 18.8 1.0
CA B:GLY136 4.3 15.5 1.0
CA B:SER135 4.3 18.8 1.0
MG A:MG1501 4.5 18.5 1.0
O2B A:ADP2501 4.5 17.7 1.0
O A:HOH382 4.5 21.1 1.0
O B:ASN163 4.6 18.9 1.0
O B:SER135 4.6 18.4 1.0
NE2 A:GLN82 4.8 12.8 1.0
O A:SER38 5.0 18.8 1.0
NE2 A:HIS192 5.0 18.4 1.0
N A:SER38 5.0 19.0 1.0
O1B A:ADP2501 5.0 17.7 1.0
O B:GLY136 5.0 15.3 1.0

Fluorine binding site 4 out of 6 in 3pux

Go back to Fluorine Binding Sites List in 3pux
Fluorine binding site 4 out of 6 in the Crystal Structure of An Outward-Facing Mbp-Maltose Transporter Complex Bound to Adp-BEF3


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of An Outward-Facing Mbp-Maltose Transporter Complex Bound to Adp-BEF3 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F3002

b:21.4
occ:1.00
 F1 B:BEF3002 0.0 21.4 1.0
BE B:BEF3002 1.6 22.9 1.0
MG B:MG1502 1.8 15.5 1.0
F2 B:BEF3002 2.5 27.0 1.0
F3 B:BEF3002 2.6 21.2 1.0
O3B B:ADP2502 2.6 24.6 1.0
O B:HOH383 2.7 34.5 1.0
O B:HOH382 2.8 33.9 1.0
NE2 B:GLN82 3.0 22.0 1.0
O2B B:ADP2502 3.0 26.0 1.0
OE1 B:GLN82 3.1 23.6 1.0
PB B:ADP2502 3.3 26.3 1.0
OE2 B:GLU159 3.4 27.1 1.0
CD B:GLN82 3.5 20.5 1.0
N A:GLY136 3.9 24.8 1.0
OG B:SER43 3.9 26.6 1.0
CB A:SER135 4.0 28.1 1.0
N A:GLY137 4.1 24.7 1.0
O3A B:ADP2502 4.3 27.8 1.0
OG A:SER135 4.3 29.0 1.0
CA A:GLY136 4.4 23.4 1.0
O1B B:ADP2502 4.5 30.2 1.0
NZ B:LYS42 4.5 25.3 1.0
O1A B:ADP2502 4.6 24.2 1.0
CD B:GLU159 4.6 29.2 1.0
C A:SER135 4.7 25.7 1.0
CE B:LYS42 4.7 26.2 1.0
CA A:SER135 4.8 26.9 1.0
C A:GLY136 4.8 23.4 1.0
NE2 B:HIS192 4.9 28.9 1.0
N B:GLY39 4.9 31.5 1.0
CG B:GLN82 5.0 20.5 1.0

Fluorine binding site 5 out of 6 in 3pux

Go back to Fluorine Binding Sites List in 3pux
Fluorine binding site 5 out of 6 in the Crystal Structure of An Outward-Facing Mbp-Maltose Transporter Complex Bound to Adp-BEF3


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Crystal Structure of An Outward-Facing Mbp-Maltose Transporter Complex Bound to Adp-BEF3 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F3002

b:27.0
occ:1.00
 F2 B:BEF3002 0.0 27.0 1.0
BE B:BEF3002 1.5 22.9 1.0
F3 B:BEF3002 2.5 21.2 1.0
F1 B:BEF3002 2.5 21.4 1.0
O3B B:ADP2502 2.7 24.6 1.0
NZ B:LYS42 2.8 25.3 1.0
NE2 B:HIS192 2.8 28.9 1.0
OE2 B:GLU159 3.4 27.1 1.0
CE1 B:HIS192 3.4 28.4 1.0
CE B:LYS42 3.4 26.2 1.0
CA B:SER38 3.4 31.2 1.0
PB B:ADP2502 3.7 26.3 1.0
OG B:SER38 3.8 31.0 1.0
O B:HOH382 3.9 33.9 1.0
CB B:SER38 3.9 30.0 1.0
N B:GLY39 3.9 31.5 1.0
MG B:MG1502 4.0 15.5 1.0
CD2 B:HIS192 4.0 26.9 1.0
O1B B:ADP2502 4.2 30.2 1.0
O2B B:ADP2502 4.2 26.0 1.0
C B:SER38 4.2 32.0 1.0
N B:SER38 4.3 32.4 1.0
O B:PRO37 4.4 33.8 1.0
O A:ASN163 4.4 26.4 1.0
CD B:GLU159 4.6 29.2 1.0
ND1 B:HIS192 4.6 27.2 1.0
C B:PRO37 4.7 33.1 1.0
NE2 B:GLN82 4.8 22.0 1.0
N A:GLY137 4.8 24.7 1.0
CD B:LYS42 4.9 28.0 1.0
CG B:HIS192 5.0 27.5 1.0
CA A:GLY137 5.0 24.7 1.0

Fluorine binding site 6 out of 6 in 3pux

Go back to Fluorine Binding Sites List in 3pux
Fluorine binding site 6 out of 6 in the Crystal Structure of An Outward-Facing Mbp-Maltose Transporter Complex Bound to Adp-BEF3


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Crystal Structure of An Outward-Facing Mbp-Maltose Transporter Complex Bound to Adp-BEF3 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F3002

b:21.2
occ:1.00
 F3 B:BEF3002 0.0 21.2 1.0
BE B:BEF3002 1.6 22.9 1.0
F2 B:BEF3002 2.5 27.0 1.0
F1 B:BEF3002 2.6 21.4 1.0
OG B:SER38 2.6 31.0 1.0
O3B B:ADP2502 2.6 24.6 1.0
OG A:SER135 2.7 29.0 1.0
N A:GLY137 2.8 24.7 1.0
CA A:GLY137 3.2 24.7 1.0
CB A:SER135 3.3 28.1 1.0
N B:GLY39 3.5 31.5 1.0
CB B:SER38 3.6 30.0 1.0
CA B:SER38 3.7 31.2 1.0
N A:GLY136 3.8 24.8 1.0
C B:SER38 3.9 32.0 1.0
N A:GLN138 4.0 25.5 1.0
C A:GLY136 4.0 23.4 1.0
C A:GLY137 4.0 25.6 1.0
PB B:ADP2502 4.1 26.3 1.0
C A:SER135 4.1 25.7 1.0
MG B:MG1502 4.3 15.5 1.0
CA A:GLY136 4.3 23.4 1.0
CA A:SER135 4.4 26.9 1.0
O B:HOH383 4.4 34.5 1.0
CA B:GLY39 4.4 32.4 1.0
O A:ASN163 4.4 26.4 1.0
NE2 B:GLN82 4.5 22.0 1.0
O3A B:ADP2502 4.7 27.8 1.0
O2B B:ADP2502 4.7 26.0 1.0
O A:SER135 4.8 26.1 1.0
NE2 B:HIS192 4.8 28.9 1.0
NZ B:LYS42 4.9 25.3 1.0
OE2 B:GLU159 5.0 27.1 1.0

Reference:

M.L.Oldham, J.Chen. Snapshots of the Maltose Transporter During Atp Hydrolysis. Proc.Natl.Acad.Sci.Usa V. 108 15152 2011.
ISSN: ISSN 0027-8424
PubMed: 21825153
DOI: 10.1073/PNAS.1108858108
Page generated: Wed Jul 31 21:55:42 2024

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