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Manganese in PDB 1qmg: Acetohydroxyacid Isomeroreductase Complexed with Its Reaction Product Dihydroxy-Methylvalerate, Manganese and Adp-Ribose.

Enzymatic activity of Acetohydroxyacid Isomeroreductase Complexed with Its Reaction Product Dihydroxy-Methylvalerate, Manganese and Adp-Ribose.

All present enzymatic activity of Acetohydroxyacid Isomeroreductase Complexed with Its Reaction Product Dihydroxy-Methylvalerate, Manganese and Adp-Ribose.:
1.1.1.86;

Protein crystallography data

The structure of Acetohydroxyacid Isomeroreductase Complexed with Its Reaction Product Dihydroxy-Methylvalerate, Manganese and Adp-Ribose., PDB code: 1qmg was solved by K.Thomazeau, R.Dumas, F.Halgand, R.Douce, V.Biou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10 / 1.6
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 110.800, 61.200, 161.700, 90.00, 95.00, 90.00
R / Rfree (%) 19.6 / 22.4

Manganese Binding Sites:

The binding sites of Manganese atom in the Acetohydroxyacid Isomeroreductase Complexed with Its Reaction Product Dihydroxy-Methylvalerate, Manganese and Adp-Ribose. (pdb code 1qmg). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 8 binding sites of Manganese where determined in the Acetohydroxyacid Isomeroreductase Complexed with Its Reaction Product Dihydroxy-Methylvalerate, Manganese and Adp-Ribose., PDB code: 1qmg:
Jump to Manganese binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Manganese binding site 1 out of 8 in 1qmg

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Manganese binding site 1 out of 8 in the Acetohydroxyacid Isomeroreductase Complexed with Its Reaction Product Dihydroxy-Methylvalerate, Manganese and Adp-Ribose.


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Acetohydroxyacid Isomeroreductase Complexed with Its Reaction Product Dihydroxy-Methylvalerate, Manganese and Adp-Ribose. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn601

b:6.5
occ:1.00
 O21 A:DMV620 2.2 6.5 1.0
OE1 A:GLU319 2.3 4.1 1.0
OD1 A:ASP315 2.3 6.6 1.0
O A:HOH2665 2.3 5.4 1.0
O A:HOH2664 2.3 6.9 1.0
O12 A:DMV620 2.3 6.9 1.0
C1 A:DMV620 3.1 4.6 1.0
C2 A:DMV620 3.2 6.8 1.0
CD A:GLU319 3.2 5.2 1.0
CG A:ASP315 3.3 7.3 1.0
OE2 A:GLU319 3.5 4.2 1.0
OD2 A:ASP315 3.6 6.2 1.0
MN A:MN602 3.6 7.0 1.0
O A:HOH2666 3.8 4.4 1.0
C4 A:DMV620 4.1 6.0 1.0
O A:HOH2219 4.1 7.6 1.0
O2M A:APX600 4.2 12.7 1.0
C3 A:DMV620 4.2 6.7 1.0
CE1 A:HIS226 4.2 8.3 1.0
NE2 A:HIS226 4.2 7.8 1.0
OG A:SER518 4.3 5.4 1.0
O11 A:DMV620 4.3 5.0 1.0
O A:ASP315 4.4 4.5 1.0
ND1 A:HIS226 4.6 6.9 1.0
CB A:ASP315 4.6 5.9 1.0
CD2 A:HIS226 4.6 6.7 1.0
CG A:GLU319 4.6 4.6 1.0
O A:HOH2667 4.7 5.5 1.0
CB A:ALA521 4.7 3.4 1.0
C A:ASP315 4.7 4.6 1.0
O31 A:DMV620 4.8 7.0 1.0
CG A:HIS226 4.8 6.5 1.0
CB A:GLU319 4.9 3.9 1.0
O1N A:APX600 5.0 14.0 1.0

Manganese binding site 2 out of 8 in 1qmg

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Manganese binding site 2 out of 8 in the Acetohydroxyacid Isomeroreductase Complexed with Its Reaction Product Dihydroxy-Methylvalerate, Manganese and Adp-Ribose.


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Acetohydroxyacid Isomeroreductase Complexed with Its Reaction Product Dihydroxy-Methylvalerate, Manganese and Adp-Ribose. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn602

b:7.0
occ:1.00
 O21 A:DMV620 2.2 6.5 1.0
OD2 A:ASP315 2.3 6.2 1.0
O A:HOH2668 2.3 5.0 1.0
O31 A:DMV620 2.3 7.0 1.0
O A:HOH2666 2.3 4.4 1.0
O A:HOH2667 2.4 5.5 1.0
C2 A:DMV620 2.9 6.8 1.0
C3 A:DMV620 3.0 6.7 1.0
CG A:ASP315 3.2 7.3 1.0
C4 A:DMV620 3.5 6.0 1.0
OD1 A:ASP315 3.5 6.6 1.0
MN A:MN601 3.6 6.5 1.0
OE1 A:GLU496 4.0 5.0 1.0
NZ A:LYS252 4.1 5.9 1.0
OE2 A:GLU496 4.1 5.8 1.0
O A:HOH2219 4.1 7.6 1.0
OE1 A:GLU319 4.2 4.1 1.0
OE1 A:GLU492 4.2 5.9 1.0
OE2 A:GLU492 4.2 5.5 1.0
C1 A:DMV620 4.2 4.6 1.0
C5 A:DMV620 4.4 5.0 1.0
CB A:ASP315 4.4 5.9 1.0
C32 A:DMV620 4.4 6.1 1.0
CD A:GLU496 4.5 5.2 1.0
O A:HOH2664 4.5 6.9 1.0
O12 A:DMV620 4.6 6.9 1.0
O A:PRO251 4.6 5.7 1.0
CD A:GLU492 4.7 5.8 1.0
O A:ASP315 4.7 4.5 1.0
CE A:LYS252 4.7 6.8 1.0
CA A:ASP315 4.8 5.1 1.0
CD1 A:LEU323 4.9 3.7 1.0

Manganese binding site 3 out of 8 in 1qmg

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Manganese binding site 3 out of 8 in the Acetohydroxyacid Isomeroreductase Complexed with Its Reaction Product Dihydroxy-Methylvalerate, Manganese and Adp-Ribose.


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Acetohydroxyacid Isomeroreductase Complexed with Its Reaction Product Dihydroxy-Methylvalerate, Manganese and Adp-Ribose. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn601

b:8.3
occ:1.00
 O21 B:DMV620 2.2 8.6 1.0
OE1 B:GLU319 2.3 4.5 1.0
O B:HOH2534 2.3 5.8 1.0
O12 B:DMV620 2.3 8.4 1.0
OD1 B:ASP315 2.3 7.3 1.0
O B:HOH2533 2.3 7.0 1.0
C1 B:DMV620 3.1 9.8 1.0
C2 B:DMV620 3.2 9.9 1.0
CD B:GLU319 3.2 6.6 1.0
CG B:ASP315 3.3 9.8 1.0
OE2 B:GLU319 3.5 7.6 1.0
MN B:MN602 3.6 11.4 1.0
OD2 B:ASP315 3.6 8.8 1.0
O B:HOH2535 3.9 6.3 1.0
C4 B:DMV620 4.1 9.5 1.0
O B:HOH2149 4.2 10.3 1.0
NE2 B:HIS226 4.2 10.3 1.0
C3 B:DMV620 4.2 9.6 1.0
OG B:SER518 4.2 7.0 1.0
O11 B:DMV620 4.2 8.6 1.0
CE1 B:HIS226 4.3 10.9 1.0
O2M B:APX600 4.3 11.9 1.0
O B:ASP315 4.4 6.9 1.0
CD2 B:HIS226 4.5 10.8 1.0
CG B:GLU319 4.6 5.9 1.0
CB B:ASP315 4.6 6.6 1.0
ND1 B:HIS226 4.6 10.6 1.0
C B:ASP315 4.7 6.7 1.0
CB B:ALA521 4.7 6.1 1.0
CG B:HIS226 4.8 9.5 1.0
O B:HOH2537 4.8 9.8 1.0
O31 B:DMV620 4.8 11.6 1.0
CB B:GLU319 4.9 6.0 1.0

Manganese binding site 4 out of 8 in 1qmg

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Manganese binding site 4 out of 8 in the Acetohydroxyacid Isomeroreductase Complexed with Its Reaction Product Dihydroxy-Methylvalerate, Manganese and Adp-Ribose.


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Acetohydroxyacid Isomeroreductase Complexed with Its Reaction Product Dihydroxy-Methylvalerate, Manganese and Adp-Ribose. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn602

b:11.4
occ:1.00
 O B:HOH2536 2.2 6.6 1.0
O21 B:DMV620 2.2 8.6 1.0
OD2 B:ASP315 2.3 8.8 1.0
O B:HOH2535 2.3 6.3 1.0
O31 B:DMV620 2.3 11.6 1.0
O B:HOH2537 2.4 9.8 1.0
C2 B:DMV620 3.0 9.9 1.0
C3 B:DMV620 3.1 9.6 1.0
CG B:ASP315 3.1 9.8 1.0
C4 B:DMV620 3.4 9.5 1.0
OD1 B:ASP315 3.4 7.3 1.0
MN B:MN601 3.6 8.3 1.0
OE1 B:GLU496 3.9 8.6 1.0
NZ B:LYS252 4.0 7.9 1.0
OE2 B:GLU496 4.1 8.8 1.0
OE1 B:GLU492 4.2 9.4 1.0
O B:HOH2149 4.2 10.3 1.0
OE1 B:GLU319 4.2 4.5 1.0
OE2 B:GLU492 4.2 8.7 1.0
C1 B:DMV620 4.3 9.8 1.0
C5 B:DMV620 4.3 8.6 1.0
CB B:ASP315 4.4 6.6 1.0
C32 B:DMV620 4.4 9.6 1.0
CD B:GLU496 4.4 8.5 1.0
O B:HOH2533 4.5 7.0 1.0
O12 B:DMV620 4.6 8.4 1.0
CE B:LYS252 4.6 9.6 1.0
O B:PRO251 4.6 9.0 1.0
CD B:GLU492 4.6 8.8 1.0
O B:ASP315 4.7 6.9 1.0
O B:HOH2528 4.7 9.1 0.4
CA B:ASP315 4.8 6.5 1.0
CD1 B:LEU323 4.9 7.2 1.0
CD B:LYS252 5.0 8.5 1.0

Manganese binding site 5 out of 8 in 1qmg

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Manganese binding site 5 out of 8 in the Acetohydroxyacid Isomeroreductase Complexed with Its Reaction Product Dihydroxy-Methylvalerate, Manganese and Adp-Ribose.


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 5 of Acetohydroxyacid Isomeroreductase Complexed with Its Reaction Product Dihydroxy-Methylvalerate, Manganese and Adp-Ribose. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mn601

b:10.7
occ:1.00
 O21 C:DMV620 2.2 12.7 1.0
OE1 C:GLU319 2.3 10.0 1.0
OD1 C:ASP315 2.3 12.4 1.0
O12 C:DMV620 2.3 10.3 1.0
O C:HOH2459 2.3 9.7 1.0
O C:HOH2458 2.4 9.8 1.0
C1 C:DMV620 3.1 11.9 1.0
C2 C:DMV620 3.2 11.5 1.0
CD C:GLU319 3.3 11.7 1.0
CG C:ASP315 3.3 12.8 1.0
OE2 C:GLU319 3.5 10.8 1.0
OD2 C:ASP315 3.6 13.6 1.0
MN C:MN602 3.6 12.7 1.0
O C:HOH2460 3.9 10.6 1.0
C4 C:DMV620 4.1 11.2 1.0
OG C:SER518 4.2 8.6 1.0
O C:HOH2143 4.2 12.1 1.0
NE2 C:HIS226 4.2 12.3 1.0
C3 C:DMV620 4.2 11.7 1.0
O11 C:DMV620 4.2 11.1 1.0
CE1 C:HIS226 4.3 11.2 1.0
O2M C:APX600 4.3 14.8 1.0
O C:ASP315 4.4 10.2 1.0
CD2 C:HIS226 4.5 11.1 1.0
CB C:ALA521 4.6 8.4 1.0
CG C:GLU319 4.6 9.5 1.0
ND1 C:HIS226 4.6 10.5 1.0
CB C:ASP315 4.6 11.2 1.0
O C:HOH2462 4.7 10.6 1.0
C C:ASP315 4.7 10.1 1.0
CG C:HIS226 4.8 10.5 1.0
O31 C:DMV620 4.8 12.6 1.0
CB C:GLU319 4.9 10.4 1.0
O1N C:APX600 5.0 16.6 1.0

Manganese binding site 6 out of 8 in 1qmg

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Manganese binding site 6 out of 8 in the Acetohydroxyacid Isomeroreductase Complexed with Its Reaction Product Dihydroxy-Methylvalerate, Manganese and Adp-Ribose.


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 6 of Acetohydroxyacid Isomeroreductase Complexed with Its Reaction Product Dihydroxy-Methylvalerate, Manganese and Adp-Ribose. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mn602

b:12.7
occ:1.00
 O21 C:DMV620 2.2 12.7 1.0
O C:HOH2461 2.3 15.5 1.0
OD2 C:ASP315 2.3 13.6 1.0
O C:HOH2460 2.3 10.6 1.0
O31 C:DMV620 2.4 12.6 1.0
O C:HOH2462 2.4 10.6 1.0
C2 C:DMV620 2.9 11.5 1.0
C3 C:DMV620 3.1 11.7 1.0
CG C:ASP315 3.2 12.8 1.0
OD1 C:ASP315 3.4 12.4 1.0
C4 C:DMV620 3.5 11.2 1.0
MN C:MN601 3.6 10.7 1.0
OE1 C:GLU496 4.0 10.5 1.0
NZ C:LYS252 4.0 13.4 1.0
OE2 C:GLU496 4.1 11.1 1.0
O C:HOH2143 4.2 12.1 1.0
OE1 C:GLU319 4.2 10.0 1.0
OE2 C:GLU492 4.2 11.0 1.0
C1 C:DMV620 4.2 11.9 1.0
OE1 C:GLU492 4.3 13.6 1.0
CB C:ASP315 4.4 11.2 1.0
C5 C:DMV620 4.4 11.7 1.0
C32 C:DMV620 4.5 10.2 1.0
CD C:GLU496 4.5 12.3 1.0
O C:HOH2458 4.5 9.8 1.0
O12 C:DMV620 4.6 10.3 1.0
O C:PRO251 4.6 10.8 1.0
O C:ASP315 4.7 10.2 1.0
CE C:LYS252 4.7 13.4 1.0
CD C:GLU492 4.7 11.8 1.0
CA C:ASP315 4.8 11.1 1.0
O C:HOH2142 4.8 13.1 0.6
CD1 C:LEU323 4.9 9.1 1.0

Manganese binding site 7 out of 8 in 1qmg

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Manganese binding site 7 out of 8 in the Acetohydroxyacid Isomeroreductase Complexed with Its Reaction Product Dihydroxy-Methylvalerate, Manganese and Adp-Ribose.


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 7 of Acetohydroxyacid Isomeroreductase Complexed with Its Reaction Product Dihydroxy-Methylvalerate, Manganese and Adp-Ribose. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mn601

b:14.4
occ:1.00
 O21 D:DMV620 2.2 17.6 1.0
O D:HOH2408 2.3 13.4 1.0
OD1 D:ASP315 2.3 12.3 1.0
O12 D:DMV620 2.3 17.3 1.0
OE1 D:GLU319 2.3 12.5 1.0
O D:HOH2409 2.4 17.0 1.0
C1 D:DMV620 3.1 18.5 1.0
C2 D:DMV620 3.2 17.2 1.0
CD D:GLU319 3.2 11.4 1.0
CG D:ASP315 3.4 14.6 1.0
OE2 D:GLU319 3.4 12.9 1.0
OD2 D:ASP315 3.7 13.3 1.0
MN D:MN602 3.7 15.3 1.0
O D:HOH2410 3.8 15.1 1.0
NE2 D:HIS226 4.1 12.9 1.0
C4 D:DMV620 4.2 15.5 1.0
CE1 D:HIS226 4.2 13.7 1.0
OG D:SER518 4.2 13.4 1.0
O D:HOH2195 4.2 14.9 1.0
O11 D:DMV620 4.3 16.6 1.0
O2M D:APX600 4.3 17.5 1.0
C3 D:DMV620 4.3 16.7 1.0
O D:ASP315 4.4 13.1 1.0
CD2 D:HIS226 4.5 12.8 1.0
ND1 D:HIS226 4.5 12.7 1.0
CG D:GLU319 4.6 11.4 1.0
CB D:ASP315 4.6 12.0 1.0
O D:HOH2412 4.6 15.4 1.0
CB D:ALA521 4.7 11.3 1.0
C D:ASP315 4.7 13.0 1.0
CG D:HIS226 4.7 13.4 1.0
O31 D:DMV620 4.8 15.8 1.0
CB D:GLU319 5.0 11.2 1.0

Manganese binding site 8 out of 8 in 1qmg

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Manganese binding site 8 out of 8 in the Acetohydroxyacid Isomeroreductase Complexed with Its Reaction Product Dihydroxy-Methylvalerate, Manganese and Adp-Ribose.


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 8 of Acetohydroxyacid Isomeroreductase Complexed with Its Reaction Product Dihydroxy-Methylvalerate, Manganese and Adp-Ribose. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mn602

b:15.3
occ:1.00
 O D:HOH2411 2.2 15.6 1.0
O21 D:DMV620 2.2 17.6 1.0
OD2 D:ASP315 2.3 13.3 1.0
O D:HOH2412 2.4 15.4 1.0
O D:HOH2410 2.4 15.1 1.0
O31 D:DMV620 2.4 15.8 1.0
C2 D:DMV620 3.0 17.2 1.0
C3 D:DMV620 3.1 16.7 1.0
CG D:ASP315 3.2 14.6 1.0
OD1 D:ASP315 3.4 12.3 1.0
C4 D:DMV620 3.6 15.5 1.0
MN D:MN601 3.7 14.4 1.0
OE1 D:GLU496 4.0 13.7 1.0
OE1 D:GLU492 4.1 14.4 1.0
OE2 D:GLU492 4.1 15.0 1.0
OE2 D:GLU496 4.1 13.6 1.0
NZ D:LYS252 4.1 14.4 1.0
OE1 D:GLU319 4.2 12.5 1.0
O D:HOH2195 4.2 14.9 1.0
C1 D:DMV620 4.3 18.5 1.0
CB D:ASP315 4.4 12.0 1.0
CD D:GLU496 4.5 14.4 1.0
C32 D:DMV620 4.5 15.9 1.0
C5 D:DMV620 4.5 16.0 1.0
O D:HOH2409 4.5 17.0 1.0
CD D:GLU492 4.5 14.2 1.0
O D:PRO251 4.6 12.9 1.0
O12 D:DMV620 4.6 17.3 1.0
CE D:LYS252 4.7 13.1 1.0
O D:ASP315 4.7 13.1 1.0
CA D:ASP315 4.8 12.6 1.0
O D:HOH2405 4.8 15.1 0.5
CD1 D:LEU323 5.0 12.2 1.0

Reference:

K.Thomazeau, R.Dumas, F.Halgand, E.Forest, R.Douce, V.Biou. Structure of Spinach Acetohydroxyacid Isomeroreductase Complexed with Its Product of Reaction Dihydroxy-Methylvalerate, Manganese and Adp-Ribose Acta Crystallogr.,Sect.D V. 56 389 2000.
ISSN: ISSN 0907-4449
PubMed: 10739911
DOI: 10.1107/S0907444900001694
Page generated: Sat Oct 5 12:13:32 2024

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