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Fluorine in PDB 3puw: Crystal Structure of An Outward-Facing Mbp-Maltose Transporter Complex Bound to Adp-ALF4

Enzymatic activity of Crystal Structure of An Outward-Facing Mbp-Maltose Transporter Complex Bound to Adp-ALF4

All present enzymatic activity of Crystal Structure of An Outward-Facing Mbp-Maltose Transporter Complex Bound to Adp-ALF4:
3.6.3.19;

Protein crystallography data

The structure of Crystal Structure of An Outward-Facing Mbp-Maltose Transporter Complex Bound to Adp-ALF4, PDB code: 3puw 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) 19.99 / 2.30
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 81.881, 97.344, 112.336, 85.76, 79.42, 72.45
R / Rfree (%) 22 / 25.5

Other elements in 3puw:

The structure of Crystal Structure of An Outward-Facing Mbp-Maltose Transporter Complex Bound to Adp-ALF4 also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms
Aluminium (Al) 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-ALF4 (pdb code 3puw). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 8 binding sites of Fluorine where determined in the Crystal Structure of An Outward-Facing Mbp-Maltose Transporter Complex Bound to Adp-ALF4, PDB code: 3puw:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Fluorine binding site 1 out of 8 in 3puw

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Fluorine binding site 1 out of 8 in the Crystal Structure of An Outward-Facing Mbp-Maltose Transporter Complex Bound to Adp-ALF4


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-ALF4 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F3001

b:21.9
occ:1.00
 F1 A:ALF3001 0.0 21.9 1.0
AL A:ALF3001 1.8 20.8 1.0
O3B A:ADP2501 2.5 25.0 1.0
F4 A:ALF3001 2.5 21.9 1.0
F3 A:ALF3001 2.5 21.2 1.0
OG A:SER38 2.6 26.3 1.0
OG B:SER135 2.8 24.6 1.0
N A:GLY39 3.1 26.9 1.0
CA B:GLY137 3.1 22.1 1.0
N B:GLY137 3.1 21.9 1.0
CA A:SER38 3.3 26.1 1.0
CB A:SER38 3.3 26.2 1.0
O A:HOH384 3.3 13.4 1.0
C A:SER38 3.6 27.1 1.0
F2 A:ALF3001 3.6 19.9 1.0
CB B:SER135 3.7 25.1 1.0
C B:GLY137 3.9 22.6 1.0
N B:GLN138 3.9 23.5 1.0
PB A:ADP2501 4.0 27.1 1.0
CA A:GLY39 4.0 28.4 1.0
O B:ASN163 4.2 26.9 1.0
C B:GLY136 4.4 21.3 1.0
N B:GLY136 4.6 22.6 1.0
O A:SER38 4.7 27.8 1.0
N A:SER38 4.7 26.4 1.0
C B:SER135 4.7 23.3 1.0
NE2 A:HIS192 4.7 24.4 1.0
O3A A:ADP2501 4.8 27.7 1.0
O1B A:ADP2501 4.8 27.7 1.0
O2B A:ADP2501 4.8 26.4 1.0
MG A:MG1501 4.8 26.1 1.0
CA B:SER135 4.8 24.6 1.0
O B:GLY137 5.0 22.7 1.0

Fluorine binding site 2 out of 8 in 3puw

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Fluorine binding site 2 out of 8 in the Crystal Structure of An Outward-Facing Mbp-Maltose Transporter Complex Bound to Adp-ALF4


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-ALF4 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F3001

b:19.9
occ:1.00
 F2 A:ALF3001 0.0 19.9 1.0
AL A:ALF3001 1.8 20.8 1.0
MG A:MG1501 2.0 26.1 1.0
O A:HOH383 2.3 23.8 1.0
O A:HOH384 2.4 13.4 1.0
F4 A:ALF3001 2.5 21.9 1.0
F3 A:ALF3001 2.5 21.2 1.0
OE2 A:GLU159 2.6 25.5 1.0
O2B A:ADP2501 2.9 26.4 1.0
O3B A:ADP2501 2.9 25.0 1.0
OE1 A:GLN82 3.0 26.4 1.0
PB A:ADP2501 3.3 27.1 1.0
NE2 A:GLN82 3.4 24.7 1.0
O A:HOH382 3.5 20.0 1.0
CD A:GLN82 3.5 24.9 1.0
F1 A:ALF3001 3.6 21.9 1.0
CD A:GLU159 3.8 24.3 1.0
OG A:SER43 4.1 25.0 1.0
NE2 A:HIS192 4.1 24.4 1.0
NZ A:LYS42 4.1 23.4 1.0
O1B A:ADP2501 4.1 27.7 1.0
CE A:LYS42 4.1 23.7 1.0
OE1 A:GLU159 4.4 23.7 1.0
O3A A:ADP2501 4.7 27.7 1.0
OD1 A:ASP158 4.7 24.5 1.0
N B:GLY137 4.8 21.9 1.0
CE1 A:HIS192 4.9 24.8 1.0
CG A:GLU159 4.9 24.4 1.0
CD2 A:HIS192 4.9 25.2 1.0
CG A:GLN82 5.0 24.4 1.0

Fluorine binding site 3 out of 8 in 3puw

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Fluorine binding site 3 out of 8 in the Crystal Structure of An Outward-Facing Mbp-Maltose Transporter Complex Bound to Adp-ALF4


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-ALF4 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F3001

b:21.2
occ:1.00
 F3 A:ALF3001 0.0 21.2 1.0
AL A:ALF3001 1.8 20.8 1.0
F2 A:ALF3001 2.5 19.9 1.0
F1 A:ALF3001 2.5 21.9 1.0
O3B A:ADP2501 2.7 25.0 1.0
NZ A:LYS42 2.8 23.4 1.0
NE2 A:HIS192 2.8 24.4 1.0
O A:HOH384 2.9 13.4 1.0
CE1 A:HIS192 3.3 24.8 1.0
CA A:SER38 3.3 26.1 1.0
CE A:LYS42 3.5 23.7 1.0
PB A:ADP2501 3.6 27.1 1.0
F4 A:ALF3001 3.6 21.9 1.0
N A:GLY39 3.7 26.9 1.0
O1B A:ADP2501 3.8 27.7 1.0
OE2 A:GLU159 3.9 25.5 1.0
CB A:SER38 4.0 26.2 1.0
C A:SER38 4.0 27.1 1.0
N A:SER38 4.0 26.4 1.0
CD2 A:HIS192 4.1 25.2 1.0
O2B A:ADP2501 4.1 26.4 1.0
OG A:SER38 4.2 26.3 1.0
MG A:MG1501 4.2 26.1 1.0
O A:PRO37 4.2 26.7 1.0
O A:HOH383 4.3 23.8 1.0
O B:ASN163 4.3 26.9 1.0
C A:PRO37 4.4 26.4 1.0
ND1 A:HIS192 4.6 25.8 1.0
O A:GLY36 4.8 25.0 1.0
CA A:GLY39 4.9 28.4 1.0
CD A:GLU159 4.9 24.3 1.0
O3A A:ADP2501 5.0 27.7 1.0
CG A:HIS192 5.0 26.1 1.0

Fluorine binding site 4 out of 8 in 3puw

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Fluorine binding site 4 out of 8 in the Crystal Structure of An Outward-Facing Mbp-Maltose Transporter Complex Bound to Adp-ALF4


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-ALF4 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F3001

b:21.9
occ:1.00
 F4 A:ALF3001 0.0 21.9 1.0
AL A:ALF3001 1.8 20.8 1.0
F2 A:ALF3001 2.5 19.9 1.0
F1 A:ALF3001 2.5 21.9 1.0
N B:GLY137 2.7 21.9 1.0
O3B A:ADP2501 2.8 25.0 1.0
N B:GLY136 2.8 22.6 1.0
O A:HOH382 2.9 20.0 1.0
O A:HOH384 2.9 13.4 1.0
NE2 A:GLN82 3.0 24.7 1.0
MG A:MG1501 3.0 26.1 1.0
OG B:SER135 3.1 24.6 1.0
CB B:SER135 3.2 25.1 1.0
CA B:GLY136 3.3 21.4 1.0
C B:GLY136 3.4 21.3 1.0
C B:SER135 3.5 23.3 1.0
F3 A:ALF3001 3.6 21.2 1.0
CA B:GLY137 3.7 22.1 1.0
O2B A:ADP2501 3.8 26.4 1.0
PB A:ADP2501 3.8 27.1 1.0
OE1 A:GLN82 3.8 26.4 1.0
CD A:GLN82 3.8 24.9 1.0
CA B:SER135 3.8 24.6 1.0
O B:SER135 4.4 23.1 1.0
O1A A:ADP2501 4.4 26.4 1.0
O3A A:ADP2501 4.5 27.7 1.0
OE2 A:GLU159 4.6 25.5 1.0
O A:HOH383 4.6 23.8 1.0
O B:GLY136 4.7 20.9 1.0
N B:GLN138 4.8 23.5 1.0
C B:GLY137 4.8 22.6 1.0
O B:HOH390 4.9 20.7 1.0
N A:GLY39 4.9 26.9 1.0
O B:ASN163 5.0 26.9 1.0
OG A:SER43 5.0 25.0 1.0

Fluorine binding site 5 out of 8 in 3puw

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Fluorine binding site 5 out of 8 in the Crystal Structure of An Outward-Facing Mbp-Maltose Transporter Complex Bound to Adp-ALF4


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-ALF4 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F3002

b:28.8
occ:1.00
 F1 B:ALF3002 0.0 28.8 1.0
AL B:ALF3002 1.8 27.9 1.0
OG B:SER38 2.5 36.3 1.0
F3 B:ALF3002 2.5 29.9 1.0
F4 B:ALF3002 2.6 29.0 1.0
O3B B:ADP2502 2.7 32.0 1.0
OG A:SER135 2.8 34.3 1.0
N B:GLY39 2.9 37.6 1.0
CA A:GLY137 3.2 30.4 1.0
CA B:SER38 3.2 37.1 1.0
CB B:SER38 3.2 36.9 1.0
N A:GLY137 3.2 30.4 1.0
C B:SER38 3.3 38.4 1.0
O B:HOH384 3.4 31.1 1.0
F2 B:ALF3002 3.6 28.9 1.0
CB A:SER135 3.7 34.9 1.0
C A:GLY137 3.9 31.0 1.0
N A:GLN138 3.9 31.6 1.0
CA B:GLY39 3.9 39.0 1.0
O A:ASN163 4.2 31.1 1.0
PB B:ADP2502 4.2 34.1 1.0
O B:SER38 4.4 40.3 1.0
C A:GLY136 4.5 29.6 1.0
N B:SER38 4.6 38.4 1.0
N A:GLY136 4.7 31.2 1.0
NE2 B:HIS192 4.7 34.5 1.0
C A:SER135 4.8 32.1 1.0
O3A B:ADP2502 4.8 35.3 1.0
MG B:MG1502 4.8 22.9 1.0
O A:GLY137 4.9 31.0 1.0
CA A:SER135 4.9 33.9 1.0
NH1 A:ARG141 4.9 33.4 1.0
NZ B:LYS42 5.0 36.0 1.0
CG A:GLN138 5.0 35.7 1.0

Fluorine binding site 6 out of 8 in 3puw

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Fluorine binding site 6 out of 8 in the Crystal Structure of An Outward-Facing Mbp-Maltose Transporter Complex Bound to Adp-ALF4


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-ALF4 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F3002

b:28.9
occ:1.00
 F2 B:ALF3002 0.0 28.9 1.0
AL B:ALF3002 1.8 27.9 1.0
MG B:MG1502 1.9 22.9 1.0
O B:HOH384 2.4 31.1 1.0
F4 B:ALF3002 2.5 29.0 1.0
OE2 B:GLU159 2.5 28.6 1.0
O B:HOH383 2.6 36.3 1.0
F3 B:ALF3002 2.6 29.9 1.0
O3B B:ADP2502 2.7 32.0 1.0
O2B B:ADP2502 3.1 32.1 1.0
OE1 B:GLN82 3.3 28.2 1.0
NE2 B:GLN82 3.3 27.7 1.0
PB B:ADP2502 3.3 34.1 1.0
O B:HOH382 3.5 29.8 1.0
F1 B:ALF3002 3.6 28.8 1.0
CD B:GLN82 3.6 27.5 1.0
CD B:GLU159 3.7 28.6 1.0
CE B:LYS42 4.0 34.9 1.0
NZ B:LYS42 4.1 36.0 1.0
OG B:SER43 4.1 30.0 1.0
NE2 B:HIS192 4.1 34.5 1.0
O1B B:ADP2502 4.2 34.8 1.0
OE1 B:GLU159 4.4 28.7 1.0
O3A B:ADP2502 4.7 35.3 1.0
CG B:GLU159 4.7 28.5 1.0
N A:GLY137 4.8 30.4 1.0
CD2 B:HIS192 4.8 32.9 1.0
O A:ASN163 5.0 31.1 1.0

Fluorine binding site 7 out of 8 in 3puw

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Fluorine binding site 7 out of 8 in the Crystal Structure of An Outward-Facing Mbp-Maltose Transporter Complex Bound to Adp-ALF4


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Crystal Structure of An Outward-Facing Mbp-Maltose Transporter Complex Bound to Adp-ALF4 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F3002

b:29.9
occ:1.00
 F3 B:ALF3002 0.0 29.9 1.0
AL B:ALF3002 1.8 27.9 1.0
F1 B:ALF3002 2.5 28.8 1.0
F2 B:ALF3002 2.6 28.9 1.0
NE2 B:HIS192 2.6 34.5 1.0
O3B B:ADP2502 2.7 32.0 1.0
NZ B:LYS42 2.9 36.0 1.0
O B:HOH384 2.9 31.1 1.0
CA B:SER38 3.2 37.1 1.0
CE1 B:HIS192 3.3 35.0 1.0
CE B:LYS42 3.5 34.9 1.0
F4 B:ALF3002 3.6 29.0 1.0
N B:GLY39 3.6 37.6 1.0
OE2 B:GLU159 3.7 28.6 1.0
CD2 B:HIS192 3.8 32.9 1.0
PB B:ADP2502 3.9 34.1 1.0
CB B:SER38 3.9 36.9 1.0
C B:SER38 3.9 38.4 1.0
N B:SER38 4.0 38.4 1.0
OG B:SER38 4.0 36.3 1.0
O B:PRO37 4.1 38.6 1.0
O A:ASN163 4.1 31.1 1.0
O1B B:ADP2502 4.2 34.8 1.0
MG B:MG1502 4.3 22.9 1.0
C B:PRO37 4.4 38.9 1.0
ND1 B:HIS192 4.5 35.0 1.0
O2B B:ADP2502 4.5 32.1 1.0
O B:HOH383 4.6 36.3 1.0
O B:GLY36 4.8 36.8 1.0
CA B:GLY39 4.8 39.0 1.0
CG B:HIS192 4.8 34.5 1.0
CD B:GLU159 4.9 28.6 1.0
CA A:GLY137 5.0 30.4 1.0
OG A:SER135 5.0 34.3 1.0

Fluorine binding site 8 out of 8 in 3puw

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Fluorine binding site 8 out of 8 in the Crystal Structure of An Outward-Facing Mbp-Maltose Transporter Complex Bound to Adp-ALF4


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Crystal Structure of An Outward-Facing Mbp-Maltose Transporter Complex Bound to Adp-ALF4 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F3002

b:29.0
occ:1.00
 F4 B:ALF3002 0.0 29.0 1.0
AL B:ALF3002 1.8 27.9 1.0
F2 B:ALF3002 2.5 28.9 1.0
F1 B:ALF3002 2.6 28.8 1.0
O3B B:ADP2502 2.7 32.0 1.0
N A:GLY137 2.8 30.4 1.0
N A:GLY136 2.8 31.2 1.0
O B:HOH384 2.8 31.1 1.0
OG A:SER135 2.9 34.3 1.0
MG B:MG1502 2.9 22.9 1.0
O B:HOH382 3.0 29.8 1.0
CB A:SER135 3.1 34.9 1.0
NE2 B:GLN82 3.1 27.7 1.0
CA A:GLY136 3.4 29.6 1.0
C A:SER135 3.5 32.1 1.0
F3 B:ALF3002 3.6 29.9 1.0
C A:GLY136 3.6 29.6 1.0
CA A:SER135 3.7 33.9 1.0
CA A:GLY137 3.8 30.4 1.0
PB B:ADP2502 3.8 34.1 1.0
OE1 B:GLN82 3.9 28.2 1.0
O2B B:ADP2502 3.9 32.1 1.0
CD B:GLN82 3.9 27.5 1.0
O3A B:ADP2502 4.4 35.3 1.0
O A:SER135 4.4 32.0 1.0
O1A B:ADP2502 4.4 33.5 1.0
OE2 B:GLU159 4.5 28.6 1.0
O B:HOH383 4.6 36.3 1.0
N A:GLN138 4.7 31.6 1.0
N B:GLY39 4.7 37.6 1.0
O A:GLY136 4.8 28.9 1.0
C A:GLY137 4.8 31.0 1.0
OG B:SER38 4.9 36.3 1.0
O A:ASN163 5.0 31.1 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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