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Sodium in PDB 3qau: 3-Hydroxy-3-Methylglutaryl-Coenzyme A Reductase From Streptococcus Pneumoniae

Enzymatic activity of 3-Hydroxy-3-Methylglutaryl-Coenzyme A Reductase From Streptococcus Pneumoniae

All present enzymatic activity of 3-Hydroxy-3-Methylglutaryl-Coenzyme A Reductase From Streptococcus Pneumoniae:
1.1.1.88;

Protein crystallography data

The structure of 3-Hydroxy-3-Methylglutaryl-Coenzyme A Reductase From Streptococcus Pneumoniae, PDB code: 3qau was solved by L.Zhang, L.Feng, L.Zhou, J.Gui, J.Wan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 25.24 / 2.30
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 73.355, 90.641, 162.914, 90.00, 90.00, 90.00
R / Rfree (%) 18 / 20.7

Sodium Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30;

Binding sites:

The binding sites of Sodium atom in the 3-Hydroxy-3-Methylglutaryl-Coenzyme A Reductase From Streptococcus Pneumoniae (pdb code 3qau). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 30 binding sites of Sodium where determined in the 3-Hydroxy-3-Methylglutaryl-Coenzyme A Reductase From Streptococcus Pneumoniae, PDB code: 3qau:
Jump to Sodium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Sodium binding site 1 out of 30 in 3qau

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Sodium binding site 1 out of 30 in the 3-Hydroxy-3-Methylglutaryl-Coenzyme A Reductase From Streptococcus Pneumoniae


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of 3-Hydroxy-3-Methylglutaryl-Coenzyme A Reductase From Streptococcus Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na502

b:18.1
occ:1.00
 O A:ALA247 2.7 15.6 1.0
NE A:ARG257 2.8 6.9 1.0
ND1 A:HIS261 2.9 6.9 1.0
NH2 A:ARG257 3.1 6.3 1.0
CZ A:ARG257 3.4 7.6 1.0
C A:ALA247 3.5 15.7 1.0
CD2 A:LEU366 3.5 15.3 1.0
CB A:ALA251 3.6 12.8 1.0
CE1 A:HIS261 3.7 7.2 1.0
CG A:HIS261 3.8 6.9 1.0
CG A:ARG257 3.9 7.7 1.0
CD A:ARG257 3.9 7.4 1.0
CB A:HIS261 4.0 6.6 1.0
CB A:ALA247 4.1 15.6 1.0
CA A:ALA247 4.2 15.6 1.0
N A:SER248 4.2 15.5 1.0
N A:ALA251 4.3 13.4 1.0
CA A:ALA251 4.5 13.0 1.0
CA A:SER248 4.5 15.5 1.0
NH1 A:ARG257 4.7 6.5 1.0
CG A:LEU366 4.7 15.4 1.0
CD1 A:LEU366 4.8 15.3 1.0
NE2 A:HIS261 4.9 6.7 1.0
CA A:HIS261 4.9 6.9 1.0
CD2 A:HIS261 5.0 6.6 1.0

Sodium binding site 2 out of 30 in 3qau

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Sodium binding site 2 out of 30 in the 3-Hydroxy-3-Methylglutaryl-Coenzyme A Reductase From Streptococcus Pneumoniae


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of 3-Hydroxy-3-Methylglutaryl-Coenzyme A Reductase From Streptococcus Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na503

b:20.0
occ:1.00
 O A:PHE101 2.9 11.9 1.0
O A:GLY99 2.9 13.7 1.0
N A:GLY70 3.0 14.1 1.0
O A:HOH735 3.2 26.0 1.0
N A:ASN69 3.3 12.7 1.0
N A:PHE101 3.6 12.2 1.0
CA A:ASN69 3.7 13.2 1.0
C A:GLY100 3.7 12.7 1.0
CA A:GLY100 3.7 12.7 1.0
CG A:LEU67 3.8 10.8 1.0
C A:ASN69 3.8 13.6 1.0
O A:LEU67 3.8 10.4 1.0
C A:PHE101 3.8 11.6 1.0
CA A:GLY70 3.9 15.2 1.0
C A:VAL68 3.9 12.2 1.0
C A:GLY99 4.0 13.8 1.0
C A:LEU67 4.0 10.9 1.0
N A:VAL68 4.2 11.2 1.0
CD2 A:LEU67 4.2 9.7 1.0
CA A:VAL68 4.2 11.7 1.0
N A:GLY100 4.3 13.2 1.0
CA A:PHE101 4.3 11.8 1.0
O A:GLY100 4.4 12.6 1.0
CB A:LEU67 4.5 10.6 1.0
O A:HOH714 4.5 37.8 1.0
CD1 A:LEU67 4.7 10.2 1.0
O A:VAL68 4.7 12.4 1.0
CA A:LEU67 4.9 10.9 1.0
N A:THR102 4.9 11.3 1.0
C A:GLY70 4.9 16.1 1.0
O A:ASN69 5.0 13.3 1.0

Sodium binding site 3 out of 30 in 3qau

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Sodium binding site 3 out of 30 in the 3-Hydroxy-3-Methylglutaryl-Coenzyme A Reductase From Streptococcus Pneumoniae


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 3 of 3-Hydroxy-3-Methylglutaryl-Coenzyme A Reductase From Streptococcus Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na504

b:15.6
occ:1.00
 O A:THR215 2.7 10.3 1.0
N A:LEU218 3.2 8.5 1.0
CB A:GLN107 3.3 13.5 1.0
C A:ASP216 3.4 10.1 1.0
CA A:ASP216 3.5 10.2 1.0
N A:SER217 3.5 9.8 1.0
CB A:LEU218 3.6 7.7 1.0
OE1 A:GLN107 3.6 19.2 1.0
CG A:LEU218 3.6 7.3 1.0
C A:THR215 3.6 9.9 1.0
O A:ASP216 3.8 10.2 1.0
CA A:LEU218 3.9 8.1 1.0
N A:ASP216 4.0 10.0 1.0
CD1 A:LEU218 4.1 7.1 1.0
N A:GLN107 4.1 12.9 1.0
CB A:HIS106 4.1 12.4 1.0
C A:SER217 4.1 9.1 1.0
CG A:GLN107 4.2 15.6 1.0
CA A:SER217 4.2 9.8 1.0
CA A:GLN107 4.2 13.4 1.0
CD A:GLN107 4.3 18.6 1.0
O A:GLN107 4.4 12.8 1.0
O A:LEU218 4.4 7.8 1.0
C A:GLN107 4.6 12.9 1.0
C A:HIS106 4.6 12.9 1.0
C A:LEU218 4.7 7.9 1.0
CB A:ASP216 4.8 10.2 1.0
CA A:THR215 4.9 9.8 1.0
CD2 A:LEU218 4.9 6.8 1.0
CA A:HIS106 5.0 12.6 1.0

Sodium binding site 4 out of 30 in 3qau

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Sodium binding site 4 out of 30 in the 3-Hydroxy-3-Methylglutaryl-Coenzyme A Reductase From Streptococcus Pneumoniae


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 4 of 3-Hydroxy-3-Methylglutaryl-Coenzyme A Reductase From Streptococcus Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na505

b:13.3
occ:1.00
 O A:GLN109 2.6 13.0 1.0
NA A:NA516 2.9 15.7 1.0
N A:ASP216 3.2 10.0 1.0
CA A:ALA214 3.3 9.1 1.0
C A:ALA214 3.4 9.2 1.0
CB A:ASP216 3.4 10.2 1.0
CB A:ALA214 3.5 8.7 1.0
CA A:ASP216 3.6 10.2 1.0
N A:ILE111 3.6 13.4 1.0
C A:GLN109 3.7 13.3 1.0
N A:THR215 3.7 9.5 1.0
CA A:MET110 3.7 13.8 1.0
O A:ALA214 3.8 9.1 1.0
CG1 A:ILE111 3.8 12.6 1.0
C A:ASP216 3.8 10.1 1.0
N A:SER217 3.9 9.8 1.0
CD1 A:ILE111 3.9 11.0 1.0
C A:MET110 3.9 13.5 1.0
N A:MET110 4.2 13.4 1.0
OG A:SER217 4.2 12.5 1.0
CB A:ILE111 4.3 13.1 1.0
C A:THR215 4.3 9.9 1.0
CB A:SER217 4.3 9.9 1.0
O A:ASP216 4.5 10.2 1.0
CA A:ILE111 4.5 13.2 1.0
CG A:ASP216 4.6 11.3 1.0
N A:ALA214 4.6 9.1 1.0
CA A:THR215 4.6 9.8 1.0
O A:HOH621 4.6 15.1 1.0
O A:TYR213 4.7 9.6 1.0
SD A:MET110 4.7 21.9 1.0
CA A:SER217 4.7 9.8 1.0
O A:MET110 4.9 13.1 1.0
CB A:MET110 4.9 14.1 1.0
CA A:GLN109 5.0 13.2 1.0

Sodium binding site 5 out of 30 in 3qau

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Sodium binding site 5 out of 30 in the 3-Hydroxy-3-Methylglutaryl-Coenzyme A Reductase From Streptococcus Pneumoniae


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 5 of 3-Hydroxy-3-Methylglutaryl-Coenzyme A Reductase From Streptococcus Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na506

b:19.4
occ:1.00
 O A:GLU81 2.5 11.0 1.0
N A:VAL85 3.1 8.6 1.0
N A:VAL84 3.2 10.0 1.0
N A:SER83 3.5 11.2 1.0
C A:GLU81 3.6 11.4 1.0
CA A:VAL84 3.8 9.0 1.0
CG2 A:THR79 3.8 9.9 1.0
CB A:VAL84 3.8 9.0 1.0
C A:PRO82 3.9 11.5 1.0
CG2 A:VAL85 3.9 8.4 1.0
CB A:VAL85 3.9 8.8 1.0
C A:VAL84 3.9 9.0 1.0
C A:SER83 4.0 10.6 1.0
CA A:PRO82 4.0 11.4 1.0
CA A:VAL85 4.1 8.8 1.0
CA A:SER83 4.2 11.2 1.0
N A:PRO82 4.3 11.5 1.0
O A:PRO82 4.6 11.1 1.0
CG1 A:VAL84 4.8 8.2 1.0
CA A:GLU81 4.8 11.2 1.0
N A:GLU81 4.8 11.8 1.0
CG2 A:VAL84 4.9 9.1 1.0
N A:ALA86 4.9 8.9 1.0
O A:SER83 4.9 10.9 1.0
O A:THR79 4.9 10.7 1.0
OG1 A:THR79 4.9 10.9 1.0

Sodium binding site 6 out of 30 in 3qau

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Sodium binding site 6 out of 30 in the 3-Hydroxy-3-Methylglutaryl-Coenzyme A Reductase From Streptococcus Pneumoniae


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 6 of 3-Hydroxy-3-Methylglutaryl-Coenzyme A Reductase From Streptococcus Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na507

b:21.2
occ:1.00
 NA A:NA511 2.4 17.1 1.0
O A:GLU38 2.9 15.2 1.0
NE2 A:GLN39 3.0 21.7 1.0
OE1 A:GLN39 3.2 22.4 1.0
CD A:GLN39 3.2 20.8 1.0
CB A:ARG334 3.3 9.4 1.0
CZ A:ARG334 3.5 6.1 1.0
NH2 A:ARG334 3.5 6.8 1.0
CA A:GLN39 3.5 15.8 1.0
NE A:ARG334 3.7 6.2 1.0
C A:GLU38 3.8 15.2 1.0
CG A:ARG334 3.8 8.7 1.0
NH1 A:ARG334 4.1 5.0 1.0
N A:GLN39 4.1 15.4 1.0
CB A:GLN39 4.2 16.0 1.0
CG A:GLN39 4.3 17.6 1.0
CD A:ARG334 4.4 7.7 1.0
N A:MET40 4.5 15.7 1.0
C A:GLN39 4.5 15.7 1.0
NA A:NA520 4.5 20.3 1.0
OD1 A:ASN332 4.5 11.4 1.0
CA A:ARG334 4.6 9.8 1.0
OD1 A:ASP37 4.7 16.1 1.0
N A:ARG334 4.7 10.4 1.0
O A:ASP37 5.0 15.3 1.0

Sodium binding site 7 out of 30 in 3qau

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Sodium binding site 7 out of 30 in the 3-Hydroxy-3-Methylglutaryl-Coenzyme A Reductase From Streptococcus Pneumoniae


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 7 of 3-Hydroxy-3-Methylglutaryl-Coenzyme A Reductase From Streptococcus Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na508

b:17.5
occ:1.00
 O A:PRO319 2.7 8.1 1.0
NA A:NA529 2.8 18.0 1.0
O A:ILE283 3.0 7.1 1.0
N A:ALA287 3.4 8.1 1.0
CA A:ILE283 3.5 7.0 1.0
CA A:GLY286 3.5 7.9 1.0
C A:PRO319 3.6 8.0 1.0
CB A:PRO319 3.6 8.1 1.0
C A:ILE283 3.6 7.1 1.0
C A:GLY286 3.7 8.0 1.0
O A:ALA282 3.8 6.9 1.0
CG A:PRO319 3.9 8.2 1.0
CG2 A:ILE283 4.0 6.1 1.0
N A:GLY286 4.0 7.6 1.0
CD A:PRO319 4.1 8.0 1.0
CA A:PRO319 4.1 8.1 1.0
CD A:PRO321 4.2 8.4 1.0
CD1 A:ILE283 4.2 5.6 1.0
CB A:ILE283 4.2 7.2 1.0
CA A:ALA287 4.3 8.2 1.0
CB A:ALA287 4.4 7.9 1.0
N A:ILE283 4.5 7.0 1.0
N A:PRO319 4.5 8.1 1.0
C A:ALA282 4.5 6.9 1.0
N A:MET320 4.6 8.2 1.0
O A:GLY286 4.6 8.3 1.0
O A:ASN212 4.6 10.9 1.0
CG1 A:ILE283 4.8 6.4 1.0
CA A:MET320 4.9 8.2 1.0
N A:GLU284 4.9 7.1 1.0
CG A:PRO321 5.0 8.2 1.0

Sodium binding site 8 out of 30 in 3qau

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Sodium binding site 8 out of 30 in the 3-Hydroxy-3-Methylglutaryl-Coenzyme A Reductase From Streptococcus Pneumoniae


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 8 of 3-Hydroxy-3-Methylglutaryl-Coenzyme A Reductase From Streptococcus Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na509

b:17.4
occ:1.00
 NA A:NA514 2.6 17.6 1.0
OE2 A:GLU80 3.3 14.7 1.0
CD A:GLU80 3.5 14.9 1.0
CG A:GLU80 3.8 13.8 1.0
OE1 A:GLU80 4.1 16.4 1.0
O A:HOH693 4.6 22.0 1.0
CB A:GLU80 5.0 12.0 1.0

Sodium binding site 9 out of 30 in 3qau

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Sodium binding site 9 out of 30 in the 3-Hydroxy-3-Methylglutaryl-Coenzyme A Reductase From Streptococcus Pneumoniae


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 9 of 3-Hydroxy-3-Methylglutaryl-Coenzyme A Reductase From Streptococcus Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na510

b:19.1
occ:1.00
 O A:HOH633 2.7 11.7 1.0
OG1 A:THR177 2.8 15.2 1.0
N A:THR177 3.0 15.2 1.0
O A:ARG108 3.3 12.1 1.0
NE A:ARG108 3.6 10.9 1.0
CG A:ARG108 3.7 11.6 1.0
N A:GLN178 3.7 16.1 1.0
CA A:THR177 3.7 15.3 1.0
CB A:THR177 3.7 15.6 1.0
CE A:MET110 3.8 20.6 1.0
C A:ARG108 3.8 12.6 1.0
CA A:GLN109 3.9 13.2 1.0
C A:THR177 3.9 15.7 1.0
O A:GLN178 4.0 16.2 1.0
O A:VAL175 4.0 13.8 1.0
OD1 A:ASP176 4.0 15.8 1.0
C A:ASP176 4.0 14.8 1.0
CZ A:ARG108 4.0 10.6 1.0
CA A:ASP176 4.1 14.7 1.0
N A:GLN109 4.1 12.9 1.0
CD A:ARG108 4.2 11.1 1.0
CG A:MET110 4.2 16.3 1.0
NH1 A:ARG108 4.2 9.4 1.0
CG2 A:THR177 4.2 14.6 1.0
N A:MET110 4.3 13.4 1.0
C A:GLN109 4.3 13.3 1.0
SD A:MET110 4.5 21.9 1.0
CA A:GLN178 4.6 16.5 1.0
CB A:ARG108 4.6 12.3 1.0
C A:GLN178 4.7 16.4 1.0
O A:ALA180 4.7 16.9 1.0
CA A:ARG108 4.8 12.4 1.0
O A:THR177 4.8 15.5 1.0
NH2 A:ARG108 4.8 10.9 1.0
CG A:ASP176 4.9 15.7 1.0
C A:VAL175 4.9 13.8 1.0
N A:ASP176 5.0 14.2 1.0

Sodium binding site 10 out of 30 in 3qau

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Sodium binding site 10 out of 30 in the 3-Hydroxy-3-Methylglutaryl-Coenzyme A Reductase From Streptococcus Pneumoniae


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 10 of 3-Hydroxy-3-Methylglutaryl-Coenzyme A Reductase From Streptococcus Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na511

b:17.1
occ:1.00
 NA A:NA507 2.4 21.2 1.0
OD1 A:ASN332 2.8 11.4 1.0
N A:MET40 3.1 15.7 1.0
NE2 A:GLN39 3.6 21.7 1.0
CG A:ASN332 3.6 13.1 1.0
ND2 A:ASN332 3.6 11.0 1.0
CA A:GLN39 3.7 15.8 1.0
C A:GLN39 3.9 15.7 1.0
CB A:ARG334 3.9 9.4 1.0
CB A:MET40 3.9 16.3 1.0
CA A:MET40 4.1 16.0 1.0
CB A:GLN39 4.2 16.0 1.0
CD A:GLN39 4.3 20.8 1.0
O A:GLU38 4.4 15.2 1.0
N A:ARG334 4.6 10.4 1.0
N A:GLN39 4.9 15.4 1.0
OE1 A:GLN39 4.9 22.4 1.0
CA A:ARG334 4.9 9.8 1.0
CG A:ARG334 4.9 8.7 1.0
CG A:GLN39 4.9 17.6 1.0
CD A:PRO333 5.0 12.8 1.0
CG A:PRO333 5.0 12.8 1.0

Reference:

L.Zhang, L.Zhang, L.Feng, L.Zhou, J.Gui, J.Wan. N/A N/A.
Page generated: Mon Oct 7 12:28:05 2024

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