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Molybdenum in PDB 6h73: Molybdenum Storage Protein - Recombinantly Produced and Loaded with Molybdate Under in Vitro Conditions

Protein crystallography data

The structure of Molybdenum Storage Protein - Recombinantly Produced and Loaded with Molybdate Under in Vitro Conditions, PDB code: 6h73 was solved by U.Ermler, S.Bruenle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.23 / 2.30
Space group P 63 2 2
Cell size a, b, c (Å), α, β, γ (°) 115.190, 115.190, 233.060, 90.00, 90.00, 120.00
R / Rfree (%) 21.1 / 23.3

Other elements in 6h73:

The structure of Molybdenum Storage Protein - Recombinantly Produced and Loaded with Molybdate Under in Vitro Conditions also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Molybdenum Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Molybdenum atom in the Molybdenum Storage Protein - Recombinantly Produced and Loaded with Molybdate Under in Vitro Conditions (pdb code 6h73). This binding sites where shown within 5.0 Angstroms radius around Molybdenum atom.
In total 12 binding sites of Molybdenum where determined in the Molybdenum Storage Protein - Recombinantly Produced and Loaded with Molybdate Under in Vitro Conditions, PDB code: 6h73:
Jump to Molybdenum binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Molybdenum binding site 1 out of 12 in 6h73

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Molybdenum binding site 1 out of 12 in the Molybdenum Storage Protein - Recombinantly Produced and Loaded with Molybdate Under in Vitro Conditions


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 1 of Molybdenum Storage Protein - Recombinantly Produced and Loaded with Molybdate Under in Vitro Conditions within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mo301

b:61.8
occ:0.50
MO1 A:FUQ301 0.0 61.8 0.5
O11 A:FUQ301 1.7 30.0 0.0
O15 A:FUQ301 1.8 30.0 0.0
O25 A:FUQ301 1.8 30.0 0.0
O14 A:FUQ301 1.9 30.0 0.0
O12 A:FUQ301 2.1 30.0 0.0
O13 A:FUQ301 2.1 30.0 0.0
MO4 A:FUQ301 3.4 65.1 0.5
MO2 A:FUQ301 3.5 60.6 0.5
O22 A:FUQ301 3.6 30.0 0.0
O43 A:FUQ301 3.6 30.0 0.0
O24 A:FUQ301 3.8 30.0 0.0
O41 A:FUQ301 3.8 30.0 0.0
O23 A:FUQ301 3.9 30.0 0.0
O35 A:FUQ301 4.0 30.0 0.0
O45 A:FUQ301 4.1 30.0 0.0
O44 A:FUQ301 4.4 30.0 0.0
NE2 A:HIS157 4.5 48.5 1.0
CG A:PRO103 4.6 39.1 1.0
CB A:PRO103 4.7 34.7 1.0
O34 A:FUQ301 4.8 30.0 0.0
O55 A:FUQ301 4.8 30.0 0.0

Molybdenum binding site 2 out of 12 in 6h73

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Molybdenum binding site 2 out of 12 in the Molybdenum Storage Protein - Recombinantly Produced and Loaded with Molybdate Under in Vitro Conditions


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 2 of Molybdenum Storage Protein - Recombinantly Produced and Loaded with Molybdate Under in Vitro Conditions within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mo301

b:60.6
occ:0.50
MO2 A:FUQ301 0.0 60.6 0.5
O35 A:FUQ301 1.7 30.0 0.0
O22 A:FUQ301 1.7 30.0 0.0
O23 A:FUQ301 1.8 30.0 0.0
O25 A:FUQ301 1.8 30.0 0.0
O21 A:FUQ301 1.9 30.0 0.0
O24 A:FUQ301 1.9 30.0 0.0
MO3 A:FUQ301 3.3 73.6 0.5
O34 A:FUQ301 3.3 30.0 0.0
O11 A:FUQ301 3.4 30.0 0.0
O32 A:FUQ301 3.4 30.0 0.0
MO1 A:FUQ301 3.5 61.8 0.5
O2 A:PO4306 3.6 95.7 1.0
O14 A:FUQ301 3.6 30.0 0.0
O33 A:FUQ301 3.9 30.0 0.0
ND1 A:HIS156 4.0 85.5 1.0
O55 A:FUQ301 4.0 30.0 0.0
CG A:HIS156 4.0 80.0 1.0
CD2 A:HIS157 4.1 48.0 1.0
O15 A:FUQ301 4.1 30.0 0.0
CB A:HIS156 4.2 66.6 1.0
CE1 A:HIS156 4.5 91.0 1.0
NE2 A:HIS157 4.5 48.5 1.0
CB A:PRO103 4.5 34.7 1.0
O13 A:FUQ301 4.6 30.0 0.0
CD2 A:HIS156 4.6 84.7 1.0
CG A:PRO103 4.7 39.1 1.0
NE2 A:HIS156 4.8 88.9 1.0
O31 A:FUQ301 4.9 30.0 0.0
P A:PO4306 5.0 91.3 1.0

Molybdenum binding site 3 out of 12 in 6h73

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Molybdenum binding site 3 out of 12 in the Molybdenum Storage Protein - Recombinantly Produced and Loaded with Molybdate Under in Vitro Conditions


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 3 of Molybdenum Storage Protein - Recombinantly Produced and Loaded with Molybdate Under in Vitro Conditions within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mo301

b:73.6
occ:0.50
MO3 A:FUQ301 0.0 73.6 0.5
O35 A:FUQ301 1.7 30.0 0.0
O31 A:FUQ301 1.8 30.0 0.0
O32 A:FUQ301 1.8 30.0 0.0
O33 A:FUQ301 1.8 30.0 0.0
O55 A:FUQ301 2.0 30.0 0.0
O34 A:FUQ301 2.2 30.0 0.0
MO2 A:FUQ301 3.3 60.6 0.5
O21 A:FUQ301 3.3 30.0 0.0
O24 A:FUQ301 3.4 30.0 0.0
CA B:GLY130 3.7 0.8 1.0
MO5 A:FUQ301 3.8 73.4 0.5
O25 A:FUQ301 3.9 30.0 0.0
N B:GLY130 3.9 0.7 1.0
O54 A:FUQ301 3.9 30.0 0.0
O52 A:FUQ301 4.1 30.0 0.0
O23 A:FUQ301 4.2 30.0 0.0
O2 A:PO4306 4.3 95.7 1.0
O45 A:FUQ301 4.3 30.0 0.0
C B:GLY130 4.4 95.3 1.0
O53 A:FUQ301 4.5 30.0 0.0
C B:ALA129 4.5 0.8 1.0
O B:GLY130 4.7 94.8 1.0
O4 A:PO4306 4.7 92.8 1.0
O22 A:FUQ301 4.9 30.0 0.0
O B:ALA129 4.9 0.7 1.0
O15 A:FUQ301 4.9 30.0 0.0
P A:PO4306 5.0 91.3 1.0

Molybdenum binding site 4 out of 12 in 6h73

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Molybdenum binding site 4 out of 12 in the Molybdenum Storage Protein - Recombinantly Produced and Loaded with Molybdate Under in Vitro Conditions


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 4 of Molybdenum Storage Protein - Recombinantly Produced and Loaded with Molybdate Under in Vitro Conditions within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mo301

b:65.1
occ:0.50
MO4 A:FUQ301 0.0 65.1 0.5
O45 A:FUQ301 1.8 30.0 0.0
O15 A:FUQ301 1.8 30.0 0.0
O42 A:FUQ301 1.8 30.0 0.0
O41 A:FUQ301 1.9 30.0 0.0
O44 A:FUQ301 1.9 30.0 0.0
O43 A:FUQ301 1.9 30.0 0.0
MO1 A:FUQ301 3.4 61.8 0.5
MO5 A:FUQ301 3.5 73.4 0.5
O54 A:FUQ301 3.5 30.0 0.0
O51 A:FUQ301 3.5 30.0 0.0
O12 A:FUQ301 3.6 30.0 0.0
O14 A:FUQ301 3.7 30.0 0.0
O55 A:FUQ301 4.0 30.0 0.0
O25 A:FUQ301 4.1 30.0 0.0
O53 A:FUQ301 4.3 30.0 0.0
O13 A:FUQ301 4.4 30.0 0.0

Molybdenum binding site 5 out of 12 in 6h73

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Molybdenum binding site 5 out of 12 in the Molybdenum Storage Protein - Recombinantly Produced and Loaded with Molybdate Under in Vitro Conditions


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 5 of Molybdenum Storage Protein - Recombinantly Produced and Loaded with Molybdate Under in Vitro Conditions within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mo301

b:73.4
occ:0.50
MO5 A:FUQ301 0.0 73.4 0.5
O45 A:FUQ301 1.8 30.0 0.0
O52 A:FUQ301 1.8 30.0 0.0
O51 A:FUQ301 1.9 30.0 0.0
O54 A:FUQ301 1.9 30.0 0.0
O55 A:FUQ301 1.9 30.0 0.0
O53 A:FUQ301 1.9 30.0 0.0
MO4 A:FUQ301 3.5 65.1 0.5
O42 A:FUQ301 3.5 30.0 0.0
O44 A:FUQ301 3.7 30.0 0.0
MO3 A:FUQ301 3.8 73.6 0.5
O15 A:FUQ301 4.0 30.0 0.0
N B:GLY130 4.1 0.7 1.0
O34 A:FUQ301 4.1 30.0 0.0
O43 A:FUQ301 4.2 30.0 0.0
O35 A:FUQ301 4.3 30.0 0.0
CB B:ALA129 4.5 0.6 1.0
N B:LEU131 4.6 93.9 1.0
CA B:ALA129 4.7 0.3 1.0
O31 A:FUQ301 4.7 30.0 0.0
O33 A:FUQ301 4.7 30.0 0.0
C B:ALA129 4.8 0.8 1.0
CA B:GLY130 4.9 0.8 1.0
O B:LEU131 4.9 0.8 1.0
CB B:LEU131 5.0 95.1 1.0

Molybdenum binding site 6 out of 12 in 6h73

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Molybdenum binding site 6 out of 12 in the Molybdenum Storage Protein - Recombinantly Produced and Loaded with Molybdate Under in Vitro Conditions


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 6 of Molybdenum Storage Protein - Recombinantly Produced and Loaded with Molybdate Under in Vitro Conditions within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mo304

b:56.7
occ:0.50
MO1 A:GUH304 0.0 56.7 0.5
O13 A:GUH304 1.8 30.0 0.0
O1 A:GUH304 1.8 30.0 0.0
O4 A:GUH304 1.9 30.0 0.0
O5 A:GUH304 1.9 30.0 0.0
O2 A:GUH304 2.0 30.0 0.0
O3 A:GUH304 2.0 30.0 0.0
MO3 A:GUH304 3.2 65.8 0.5
MO2 A:GUH304 3.4 60.5 0.5
O26 A:GUH304 3.4 30.0 0.0
O24 A:GUH304 3.5 30.0 0.0
MO4 A:GUH304 3.7 54.8 0.5
O33 A:GUH304 3.9 30.0 0.0
OH A:TYR127 3.9 42.1 1.0
O9 A:GUH304 4.0 30.0 0.0
O25 A:GUH304 4.0 30.0 0.0
CA A:GLY110 4.0 33.8 1.0
O6 A:GUH304 4.1 30.0 0.0
O7 A:GUH304 4.2 30.0 0.0
CE1 A:HIS114 4.2 39.0 1.0
OE1 A:GLN111 4.4 49.3 1.0
O27 A:GUH304 4.4 30.0 0.0
CE2 A:TYR127 4.5 36.2 1.0
CZ A:TYR127 4.6 39.5 1.0
C A:GLY110 4.6 34.7 1.0
ND1 A:HIS114 4.8 39.5 1.0
O A:GLY110 4.9 32.5 1.0
O A:SER107 4.9 32.3 1.0
N A:GLY110 5.0 36.6 1.0

Molybdenum binding site 7 out of 12 in 6h73

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Molybdenum binding site 7 out of 12 in the Molybdenum Storage Protein - Recombinantly Produced and Loaded with Molybdate Under in Vitro Conditions


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 7 of Molybdenum Storage Protein - Recombinantly Produced and Loaded with Molybdate Under in Vitro Conditions within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mo304

b:60.5
occ:0.50
MO2 A:GUH304 0.0 60.5 0.5
O5 A:GUH304 1.7 30.0 0.0
O24 A:GUH304 1.9 30.0 0.0
O25 A:GUH304 1.9 30.0 0.0
O6 A:GUH304 2.0 30.0 0.0
O7 A:GUH304 2.0 30.0 0.0
O8 A:GUH304 2.1 30.0 0.0
MO4 A:GUH304 3.3 54.8 0.5
MO1 A:GUH304 3.4 56.7 0.5
MO7 A:GUH304 3.8 64.6 0.5
O2 A:GUH304 3.8 30.0 0.0
O4 A:GUH304 3.9 30.0 0.0
O11 A:GUH304 3.9 30.0 0.0
O71 A:GUH304 4.0 30.0 0.0
O A:ALA106 4.1 40.9 1.0
O26 A:GUH304 4.2 30.0 0.0
O13 A:GUH304 4.2 30.0 0.0
O36 A:GUH304 4.2 30.0 0.0
O28 A:GUH304 4.2 30.0 0.0
C A:ALA106 4.3 40.3 1.0
O1 A:GUH304 4.3 30.0 0.0
CA A:SER107 4.5 35.5 1.0
N A:SER107 4.5 37.5 1.0
CB A:ALA106 4.6 26.8 1.0
O12 A:GUH304 4.7 30.0 0.0
OG A:SER150 4.7 38.7 1.0
CB A:SER150 4.8 38.9 1.0
OH A:TYR127 4.8 42.1 1.0

Molybdenum binding site 8 out of 12 in 6h73

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Molybdenum binding site 8 out of 12 in the Molybdenum Storage Protein - Recombinantly Produced and Loaded with Molybdate Under in Vitro Conditions


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 8 of Molybdenum Storage Protein - Recombinantly Produced and Loaded with Molybdate Under in Vitro Conditions within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mo304

b:65.8
occ:0.50
MO3 A:GUH304 0.0 65.8 0.5
O33 A:GUH304 1.8 30.0 0.0
O26 A:GUH304 1.9 30.0 0.0
O27 A:GUH304 2.0 30.0 0.0
O9 A:GUH304 2.0 30.0 0.0
O32 A:GUH304 2.0 30.0 0.0
O4 A:GUH304 2.1 30.0 0.0
O3 A:GUH304 2.1 30.0 0.0
O2 A:GUH304 3.0 30.0 0.0
MO1 A:GUH304 3.2 56.7 0.5
O5 A:GUH304 3.7 30.0 0.0
MO4 A:GUH304 3.7 54.8 0.5
O34 A:GUH304 3.8 30.0 0.0
MO6 A:GUH304 3.8 51.5 0.5
O1 A:GUH304 4.0 30.0 0.0
O11 A:GUH304 4.4 30.0 0.0
O18 A:GUH304 4.4 30.0 0.0
OE2 A:GLU129 4.5 91.2 1.0
O35 A:GUH304 4.5 30.0 0.0
O13 A:GUH304 4.7 30.0 0.0
O12 A:GUH304 4.7 30.0 0.0
O25 A:GUH304 4.8 30.0 0.0
CE1 A:HIS114 4.8 39.0 1.0
CE2 A:TYR127 4.9 36.2 1.0
CG A:GLU129 4.9 73.9 1.0
CD A:GLU129 5.0 86.7 1.0

Molybdenum binding site 9 out of 12 in 6h73

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Molybdenum binding site 9 out of 12 in the Molybdenum Storage Protein - Recombinantly Produced and Loaded with Molybdate Under in Vitro Conditions


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 9 of Molybdenum Storage Protein - Recombinantly Produced and Loaded with Molybdate Under in Vitro Conditions within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mo304

b:54.8
occ:0.50
MO4 A:GUH304 0.0 54.8 0.5
O12 A:GUH304 1.7 30.0 0.0
O11 A:GUH304 2.3 30.0 0.0
O25 A:GUH304 2.3 30.0 0.0
O26 A:GUH304 2.3 30.0 0.0
O5 A:GUH304 2.4 30.0 0.0
O4 A:GUH304 2.4 30.0 0.0
O7 A:GUH304 2.7 30.0 0.0
O18 A:GUH304 3.1 30.0 0.0
O33 A:GUH304 3.2 30.0 0.0
MO6 A:GUH304 3.3 51.5 0.5
MO2 A:GUH304 3.3 60.5 0.5
O36 A:GUH304 3.5 30.0 0.0
MO7 A:GUH304 3.5 64.6 0.5
MO1 A:GUH304 3.7 56.7 0.5
MO3 A:GUH304 3.7 65.8 0.5
N A:HIS130 3.9 41.9 1.0
OH A:TYR127 4.0 42.1 1.0
O1 A:GUH304 4.1 30.0 0.0
O A:HOH429 4.3 34.3 1.0
O35 A:GUH304 4.4 30.0 0.0
CA A:GLU129 4.4 47.9 1.0
CG A:HIS130 4.4 54.4 1.0
O2 A:GUH304 4.4 30.0 0.0
CB A:HIS130 4.4 44.4 1.0
O8 A:GUH304 4.5 30.0 0.0
O24 A:GUH304 4.6 30.0 0.0
CB A:GLU129 4.6 60.0 1.0
O3 A:GUH304 4.6 30.0 0.0
C A:GLU129 4.7 44.7 1.0
ND1 A:HIS130 4.7 60.1 1.0
CE2 A:TYR127 4.7 36.2 1.0
O16 A:GUH304 4.7 30.0 0.0
CD2 A:HIS130 4.8 55.9 1.0
CA A:HIS130 4.8 42.3 1.0
O6 A:GUH304 4.9 30.0 0.0
O28 A:GUH304 4.9 30.0 0.0
O34 A:GUH304 4.9 30.0 0.0
CZ A:TYR127 4.9 39.5 1.0
O71 A:GUH304 4.9 30.0 0.0
O19 A:GUH304 4.9 30.0 0.0

Molybdenum binding site 10 out of 12 in 6h73

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Molybdenum binding site 10 out of 12 in the Molybdenum Storage Protein - Recombinantly Produced and Loaded with Molybdate Under in Vitro Conditions


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 10 of Molybdenum Storage Protein - Recombinantly Produced and Loaded with Molybdate Under in Vitro Conditions within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mo304

b:51.5
occ:0.50
MO6 A:GUH304 0.0 51.5 0.5
O18 A:GUH304 1.8 30.0 0.0
O11 A:GUH304 1.8 30.0 0.0
O16 A:GUH304 2.0 30.0 0.0
O35 A:GUH304 2.0 30.0 0.0
O34 A:GUH304 2.0 30.0 0.0
O26 A:GUH304 2.2 30.0 0.0
MO4 A:GUH304 3.3 54.8 0.5
MO7 A:GUH304 3.4 64.6 0.5
O25 A:GUH304 3.6 30.0 0.0
O19 A:GUH304 3.8 30.0 0.0
MO3 A:GUH304 3.8 65.8 0.5
O33 A:GUH304 3.8 30.0 0.0
O32 A:GUH304 3.9 30.0 0.0
O28 A:GUH304 4.0 30.0 0.0
O12 A:GUH304 4.1 30.0 0.0
O36 A:GUH304 4.2 30.0 0.0
O4 A:GUH304 4.3 30.0 0.0
O9 A:GUH304 4.3 30.0 0.0
O5 A:GUH304 4.5 30.0 0.0
CD A:PRO131 4.6 34.9 1.0
CB A:GLU129 4.7 60.0 1.0

Reference:

S.Brunle, J.Poppe, R.Hail, U.Demmer, U.Ermler. The Molybdenum Storage Protein - A Bionanolab For Creating Experimentally Alterable Polyoxomolybdate Clusters. J. Inorg. Biochem. V. 189 172 2018.
ISSN: ISSN 1873-3344
PubMed: 30278367
DOI: 10.1016/J.JINORGBIO.2018.09.011
Page generated: Tue Dec 15 05:20:33 2020

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