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Sodium in PDB 3qae: 3-Hydroxy-3-Methylglutaryl-Coenzyme A Reductase of Streptococcus Pneumoniae

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

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

Protein crystallography data

The structure of 3-Hydroxy-3-Methylglutaryl-Coenzyme A Reductase of Streptococcus Pneumoniae, PDB code: 3qae 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) 24.72 / 2.30
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 73.483, 90.367, 160.621, 90.00, 90.00, 90.00
R / Rfree (%) 20.7 / 24.1

Sodium Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 27;

Binding sites:

The binding sites of Sodium atom in the 3-Hydroxy-3-Methylglutaryl-Coenzyme A Reductase of Streptococcus Pneumoniae (pdb code 3qae). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 27 binding sites of Sodium where determined in the 3-Hydroxy-3-Methylglutaryl-Coenzyme A Reductase of Streptococcus Pneumoniae, PDB code: 3qae:
Jump to Sodium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Sodium binding site 1 out of 27 in 3qae

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Sodium binding site 1 out of 27 in the 3-Hydroxy-3-Methylglutaryl-Coenzyme A Reductase of 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 of Streptococcus Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na997

b:22.0
occ:1.00
 NA A:NA1015 2.5 17.5 1.0
O A:GLN107 3.0 16.0 1.0
O A:SER217 3.3 11.3 1.0
CG2 A:VAL219 3.4 8.9 1.0
CG1 A:VAL105 3.6 14.7 1.0
C A:SER217 3.6 10.8 1.0
CB A:SER217 3.6 11.1 1.0
CA A:SER217 3.6 10.9 1.0
CB A:ARG108 3.9 14.8 1.0
O A:MET320 4.0 9.3 1.0
CG A:ARG108 4.0 14.5 1.0
CA A:ARG108 4.0 14.9 1.0
C A:GLN107 4.1 15.8 1.0
O A:LEU218 4.3 9.6 1.0
OG A:SER217 4.4 12.7 1.0
N A:ARG108 4.5 15.2 1.0
N A:LEU218 4.5 10.4 1.0
C A:MET320 4.6 9.1 1.0
CG2 A:VAL105 4.6 14.8 1.0
CB A:VAL105 4.6 15.0 1.0
CD A:ARG108 4.7 13.8 1.0
C A:LEU218 4.7 9.9 1.0
CB A:ALA351 4.7 11.4 1.0
CB A:VAL219 4.9 9.4 1.0
NH2 A:ARG108 4.9 12.2 1.0

Sodium binding site 2 out of 27 in 3qae

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Sodium binding site 2 out of 27 in the 3-Hydroxy-3-Methylglutaryl-Coenzyme A Reductase of 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 of Streptococcus Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na998

b:21.4
occ:1.00
 NA A:NA1016 2.5 22.3 1.0
CZ A:PHE56 3.7 6.6 1.0
CD2 A:LEU58 3.9 11.0 1.0
CE1 A:PHE56 4.0 6.8 1.0
CG A:GLU80 4.3 14.1 1.0
CB A:GLU80 4.4 11.6 1.0
CD A:GLU80 4.8 16.7 1.0
CE2 A:PHE56 4.9 6.5 1.0
OE1 A:GLU80 5.0 17.4 1.0
CG A:LEU58 5.0 11.4 1.0

Sodium binding site 3 out of 27 in 3qae

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Sodium binding site 3 out of 27 in the 3-Hydroxy-3-Methylglutaryl-Coenzyme A Reductase of 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 of Streptococcus Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na999

b:21.3
occ:1.00
 O A:PRO319 2.7 9.4 1.0
O A:ILE283 2.9 6.4 1.0
NA A:NA1010 3.0 17.3 1.0
N A:ALA287 3.2 7.9 1.0
CA A:ILE283 3.5 6.5 1.0
CA A:GLY286 3.5 7.0 1.0
CB A:PRO319 3.5 9.7 1.0
C A:ILE283 3.6 6.3 1.0
C A:PRO319 3.6 9.5 1.0
C A:GLY286 3.6 7.4 1.0
O A:ALA282 3.8 7.8 1.0
N A:GLY286 3.9 6.5 1.0
CG A:PRO319 3.9 9.8 1.0
CG2 A:ILE283 3.9 6.0 1.0
CA A:PRO319 4.1 9.8 1.0
CA A:ALA287 4.1 8.2 1.0
CD A:PRO319 4.1 9.8 1.0
CB A:ALA287 4.2 7.9 1.0
CB A:ILE283 4.2 6.2 1.0
CD1 A:ILE283 4.2 5.9 1.0
CD A:PRO321 4.4 9.0 1.0
N A:PRO319 4.4 9.9 1.0
N A:ILE283 4.5 6.6 1.0
O A:GLY286 4.5 7.6 1.0
C A:ALA282 4.6 6.9 1.0
N A:MET320 4.6 9.3 1.0
O A:ASN212 4.7 11.5 1.0
CG1 A:ILE283 4.8 6.5 1.0
N A:GLU284 4.8 6.3 1.0
CA A:MET320 5.0 9.0 1.0

Sodium binding site 4 out of 27 in 3qae

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Sodium binding site 4 out of 27 in the 3-Hydroxy-3-Methylglutaryl-Coenzyme A Reductase of 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 of Streptococcus Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na1000

b:20.9
occ:1.00
 NE2 A:GLN361 2.8 6.9 1.0
O A:GLN361 2.9 8.9 1.0
O A:HOH1083 2.9 12.1 1.0
NA A:NA1001 3.1 38.1 1.0
CG A:GLN361 3.6 8.3 1.0
CD A:GLN361 3.7 7.8 1.0
CB A:ALA87 3.7 8.4 1.0
N A:ALA365 3.7 11.3 1.0
CB A:ALA365 3.8 11.7 1.0
O5 A:CIT502 3.8 11.4 1.0
C A:GLN361 3.8 9.1 1.0
CA A:ALA365 4.0 12.0 1.0
CA A:GLN361 4.2 8.8 1.0
CB A:ALA364 4.2 11.3 1.0
C A:ALA364 4.4 11.4 1.0
CB A:GLN361 4.5 8.6 1.0
CA A:ALA364 4.8 11.3 1.0
OE1 A:GLN361 4.9 6.0 1.0
CA A:ALA87 5.0 8.6 1.0
O A:GLY264 5.0 8.3 1.0

Sodium binding site 5 out of 27 in 3qae

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Sodium binding site 5 out of 27 in the 3-Hydroxy-3-Methylglutaryl-Coenzyme A Reductase of 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 of Streptococcus Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na1001

b:38.1
occ:1.00
 O5 A:CIT502 3.0 11.4 1.0
NA A:NA1000 3.1 20.9 1.0
O A:HOH1077 3.4 15.3 1.0
C6 A:CIT502 3.9 11.5 1.0
O6 A:CIT502 4.0 10.7 1.0
CB A:ALA87 4.0 8.4 1.0
O A:HOH1083 4.1 12.1 1.0
CA A:ALA365 4.1 12.0 1.0
CB A:ALA365 4.5 11.7 1.0
N A:ALA365 4.5 11.3 1.0
OG A:SER83 4.7 13.5 1.0
O A:ALA364 4.7 11.8 1.0
C A:ALA364 4.8 11.4 1.0

Sodium binding site 6 out of 27 in 3qae

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Sodium binding site 6 out of 27 in the 3-Hydroxy-3-Methylglutaryl-Coenzyme A Reductase of 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 of Streptococcus Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na1002

b:13.6
occ:1.00
 OG1 A:THR260 2.8 6.9 1.0
CB A:THR260 3.2 8.1 1.0
NH1 A:ARG257 3.4 8.0 1.0
O A:TYR256 3.5 11.0 1.0
CG2 A:THR260 3.6 7.7 1.0
CD A:ARG257 3.8 10.2 1.0
CA A:ARG257 3.8 10.2 1.0
O A:ARG257 4.3 9.9 1.0
C A:TYR256 4.4 11.3 1.0
CZ A:ARG257 4.5 9.6 1.0
N A:ARG257 4.5 10.7 1.0
CB A:ARG257 4.5 10.3 1.0
C A:ARG257 4.6 9.9 1.0
NE A:ARG257 4.6 9.2 1.0
CA A:THR260 4.7 7.9 1.0
CG A:ARG257 4.8 9.9 1.0

Sodium binding site 7 out of 27 in 3qae

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Sodium binding site 7 out of 27 in the 3-Hydroxy-3-Methylglutaryl-Coenzyme A Reductase of 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 of Streptococcus Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na1003

b:20.9
occ:1.00
 O A:GLU81 2.5 10.4 1.0
N A:VAL85 3.2 7.5 1.0
N A:VAL84 3.3 9.0 1.0
N A:SER83 3.4 10.2 1.0
C A:GLU81 3.6 10.3 1.0
CG2 A:VAL85 3.8 6.8 1.0
CB A:VAL85 3.8 7.3 1.0
C A:PRO82 3.9 10.6 1.0
CA A:VAL84 3.9 8.1 1.0
CG2 A:THR79 3.9 10.8 1.0
C A:SER83 3.9 9.6 1.0
CB A:VAL84 3.9 8.0 1.0
CA A:PRO82 4.0 10.5 1.0
C A:VAL84 4.0 8.0 1.0
CA A:VAL85 4.1 7.4 1.0
CA A:SER83 4.1 10.3 1.0
N A:PRO82 4.2 10.4 1.0
O A:PRO82 4.7 10.3 1.0
CA A:GLU81 4.8 10.1 1.0
CG1 A:VAL84 4.8 7.7 1.0
O A:SER83 4.8 9.9 1.0
N A:ALA86 4.9 7.8 1.0
N A:GLU81 4.9 10.7 1.0
CG2 A:VAL84 5.0 7.5 1.0

Sodium binding site 8 out of 27 in 3qae

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Sodium binding site 8 out of 27 in the 3-Hydroxy-3-Methylglutaryl-Coenzyme A Reductase of 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 of Streptococcus Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na1004

b:22.9
occ:1.00
 OG A:SER222 2.9 10.7 1.0
CB A:SER222 3.5 10.9 1.0
O A:HOH1045 4.4 10.2 1.0
OE2 A:GLU315 4.7 20.5 1.0
CD A:GLU315 4.9 19.3 1.0
CA A:SER222 5.0 10.8 1.0

Sodium binding site 9 out of 27 in 3qae

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Sodium binding site 9 out of 27 in the 3-Hydroxy-3-Methylglutaryl-Coenzyme A Reductase of 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 of Streptococcus Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na1005

b:23.1
occ:1.00
 O A:THR215 2.7 9.9 1.0
N A:LEU218 3.2 10.4 1.0
OE1 A:GLN107 3.4 19.6 1.0
N A:SER217 3.4 10.6 1.0
C A:ASP216 3.5 10.4 1.0
CB A:GLN107 3.5 16.5 1.0
CB A:LEU218 3.6 9.7 1.0
CA A:ASP216 3.6 10.3 1.0
C A:THR215 3.6 10.0 1.0
CG A:LEU218 3.7 9.3 1.0
N A:GLN107 3.9 15.9 1.0
CA A:LEU218 3.9 10.1 1.0
O A:ASP216 4.0 10.1 1.0
N A:ASP216 4.0 10.1 1.0
CD1 A:LEU218 4.1 8.9 1.0
C A:SER217 4.1 10.8 1.0
CA A:SER217 4.1 10.9 1.0
CG A:GLN107 4.1 18.2 1.0
CB A:HIS106 4.2 14.8 1.0
CD A:GLN107 4.2 20.0 1.0
CA A:GLN107 4.2 16.3 1.0
O A:LEU218 4.4 9.6 1.0
O A:GLN107 4.5 16.0 1.0
C A:HIS106 4.5 15.6 1.0
C A:LEU218 4.6 9.9 1.0
C A:GLN107 4.7 15.8 1.0
CA A:THR215 4.9 9.9 1.0
CA A:HIS106 4.9 15.1 1.0
CB A:ASP216 5.0 10.4 1.0

Sodium binding site 10 out of 27 in 3qae

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Sodium binding site 10 out of 27 in the 3-Hydroxy-3-Methylglutaryl-Coenzyme A Reductase of 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 of Streptococcus Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na1006

b:13.7
occ:1.00
 OE1 A:GLU284 2.8 2.8 1.0
NE2 A:HIS288 3.1 7.1 1.0
OE2 A:GLU284 3.4 4.4 1.0
CD A:GLU284 3.5 5.2 1.0
CB A:PHE266 3.6 8.1 1.0
CA A:LYS263 3.7 7.2 1.0
CE1 A:HIS288 3.9 6.5 1.0
CG A:PHE266 4.1 7.7 1.0
CD2 A:HIS288 4.1 7.8 1.0
O A:ASN262 4.2 7.0 1.0
N A:LYS263 4.3 7.2 1.0
O A:LYS263 4.3 7.1 1.0
CD2 A:PHE266 4.3 7.1 1.0
CB A:LYS263 4.4 6.9 1.0
CG A:LYS263 4.4 6.4 1.0
C A:LYS263 4.5 7.5 1.0
C A:ASN262 4.6 7.1 1.0
CD1 A:PHE266 4.9 7.4 1.0
CA A:PHE266 4.9 7.9 1.0
CG A:GLU284 5.0 4.3 1.0

Reference:

L.Zhang, L.Zhang, L.Feng, L.Zhou, J.Gui, J.Wan. N/A N/A.
Page generated: Mon Oct 7 12:28:04 2024

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