Atomistry » Calcium » PDB 7lry-7m41 » 7m1z
Atomistry »
  Calcium »
    PDB 7lry-7m41 »
      7m1z »

Calcium in PDB 7m1z: Targeting Enterococcus Faecalis Hmg-Coa Reductase with A Novel Non- Statin Inhibitor

Enzymatic activity of Targeting Enterococcus Faecalis Hmg-Coa Reductase with A Novel Non- Statin Inhibitor

All present enzymatic activity of Targeting Enterococcus Faecalis Hmg-Coa Reductase with A Novel Non- Statin Inhibitor:
1.1.1.88;

Protein crystallography data

The structure of Targeting Enterococcus Faecalis Hmg-Coa Reductase with A Novel Non- Statin Inhibitor, PDB code: 7m1z was solved by S.Bose, C.N.Steussy, C.V.Stauffacher, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.54 / 2.27
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 241.289, 62.557, 171.925, 90, 133.49, 90
R / Rfree (%) 19.6 / 23.9

Calcium Binding Sites:

The binding sites of Calcium atom in the Targeting Enterococcus Faecalis Hmg-Coa Reductase with A Novel Non- Statin Inhibitor (pdb code 7m1z). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 7 binding sites of Calcium where determined in the Targeting Enterococcus Faecalis Hmg-Coa Reductase with A Novel Non- Statin Inhibitor, PDB code: 7m1z:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7;

Calcium binding site 1 out of 7 in 7m1z

Go back to Calcium Binding Sites List in 7m1z
Calcium binding site 1 out of 7 in the Targeting Enterococcus Faecalis Hmg-Coa Reductase with A Novel Non- Statin Inhibitor


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Targeting Enterococcus Faecalis Hmg-Coa Reductase with A Novel Non- Statin Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca505

b:58.7
occ:1.00
 O A:HOH707 2.4 59.9 1.0
OD1 A:ASP158 2.4 54.3 1.0
O A:HOH614 2.4 52.4 1.0
O A:LEU159 2.4 57.6 1.0
O A:HOH627 2.4 51.0 1.0
H A:LEU159 3.2 55.9 1.0
CG A:ASP158 3.3 56.5 1.0
OD2 A:ASP158 3.5 58.6 1.0
C A:LEU159 3.6 54.0 1.0
N A:LEU159 3.9 46.3 1.0
O A:HOH664 4.0 56.8 1.0
HG2 A:GLN160 4.0 64.0 1.0
HB2 A:LEU159 4.2 69.0 1.0
HA A:GLN160 4.2 65.1 1.0
CA A:LEU159 4.3 55.9 1.0
OE2 A:GLU135 4.5 56.4 1.0
HA A:ASP158 4.6 58.2 1.0
N A:GLN160 4.6 54.9 1.0
CB A:ASP158 4.7 54.7 1.0
HE1 A:TYR161 4.7 69.9 1.0
CB A:LEU159 4.8 57.1 1.0
OE1 A:GLU135 4.8 53.8 1.0
C A:ASP158 4.9 44.2 1.0
CA A:GLN160 4.9 54.0 1.0
CA A:ASP158 5.0 48.2 1.0
CG A:GLN160 5.0 53.0 1.0

Calcium binding site 2 out of 7 in 7m1z

Go back to Calcium Binding Sites List in 7m1z
Calcium binding site 2 out of 7 in the Targeting Enterococcus Faecalis Hmg-Coa Reductase with A Novel Non- Statin Inhibitor


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Targeting Enterococcus Faecalis Hmg-Coa Reductase with A Novel Non- Statin Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca506

b:54.6
occ:1.00
 O A:ASP338 2.3 33.6 1.0
O A:HOH696 2.4 44.4 1.0
O A:HOH610 2.6 39.7 1.0
O B:GLN31 2.6 36.3 1.0
OD1 A:ASP338 2.6 44.2 1.0
O A:HOH624 2.8 40.9 1.0
HB2 A:ALA341 2.8 45.4 1.0
C A:ASP338 3.4 32.9 1.0
C B:GLN31 3.5 34.8 1.0
O B:HOH696 3.7 55.7 1.0
HA B:GLN31 3.7 43.5 1.0
HA B:ILE32 3.7 42.4 1.0
CB A:ALA341 3.8 37.5 1.0
CG A:ASP338 3.9 36.4 1.0
HA A:LEU339 3.9 38.2 1.0
HB1 A:ALA341 3.9 45.4 1.0
HA A:ASP338 4.1 33.1 1.0
CA B:GLN31 4.2 35.9 1.0
HB3 A:ALA341 4.2 45.4 1.0
CA A:ASP338 4.3 27.3 1.0
N B:ILE32 4.3 34.4 1.0
N A:LEU339 4.4 26.9 1.0
O A:LEU339 4.4 30.3 1.0
CA A:LEU339 4.4 31.6 1.0
O B:GLY30 4.5 38.3 1.0
CA B:ILE32 4.5 35.0 1.0
HG22 B:ILE32 4.6 37.4 1.0
C A:LEU339 4.6 31.3 1.0
HA A:ALA341 4.7 38.3 1.0
CB A:ASP338 4.7 31.9 1.0
OD2 A:ASP338 4.7 35.8 1.0
CA A:ALA341 4.8 31.6 1.0
HB3 B:GLN31 4.9 50.0 1.0

Calcium binding site 3 out of 7 in 7m1z

Go back to Calcium Binding Sites List in 7m1z
Calcium binding site 3 out of 7 in the Targeting Enterococcus Faecalis Hmg-Coa Reductase with A Novel Non- Statin Inhibitor


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Targeting Enterococcus Faecalis Hmg-Coa Reductase with A Novel Non- Statin Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca505

b:76.5
occ:1.00
 O B:HOH636 2.4 75.9 1.0
O B:HOH622 2.4 67.1 1.0
O B:HOH692 2.5 66.0 1.0
O B:LEU159 2.6 68.3 1.0
OD1 B:ASP158 2.9 63.0 1.0
O B:HOH699 3.1 77.0 1.0
H B:LEU159 3.6 76.4 1.0
HG2 B:GLN160 3.7 70.5 1.0
C B:LEU159 3.7 65.8 1.0
CG B:ASP158 3.8 62.1 1.0
OD2 B:ASP158 3.8 58.7 1.0
HA B:GLN160 4.0 73.2 1.0
HG3 B:GLN160 4.0 70.5 1.0
CG B:GLN160 4.3 58.4 1.0
N B:LEU159 4.3 63.4 1.0
N B:GLN160 4.6 62.3 1.0
HE1 B:TYR161 4.6 97.5 1.0
CA B:LEU159 4.6 67.0 1.0
CA B:GLN160 4.6 60.7 1.0
HB2 B:LEU159 4.7 87.2 1.0
OE2 B:GLU135 4.7 81.4 1.0

Calcium binding site 4 out of 7 in 7m1z

Go back to Calcium Binding Sites List in 7m1z
Calcium binding site 4 out of 7 in the Targeting Enterococcus Faecalis Hmg-Coa Reductase with A Novel Non- Statin Inhibitor


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Targeting Enterococcus Faecalis Hmg-Coa Reductase with A Novel Non- Statin Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca505

b:103.3
occ:1.00
 HB3 C:PRO87 2.0 52.4 1.0
HB3 C:LEU379 2.2 59.6 1.0
NH2 C:ARG382 2.3 54.2 1.0
OE2 D:GLU55 2.5 47.6 1.0
HH22 C:ARG382 2.6 65.4 1.0
CB C:PRO87 2.8 43.3 1.0
O D:MET53 2.9 46.9 0.5
HB2 C:PRO87 3.0 52.4 1.0
O C:HOH622 3.0 49.4 1.0
HA C:PRO87 3.1 55.2 1.0
CB C:LEU379 3.2 49.4 1.0
HE C:ARG382 3.2 62.3 1.0
O D:MET53 3.2 47.5 0.5
O C:LEU379 3.2 48.7 1.0
CZ C:ARG382 3.4 52.6 1.0
CA C:PRO87 3.4 45.7 1.0
HA D:ILE54 3.4 57.1 1.0
H C:SER88 3.5 48.4 1.0
HB2 C:LEU379 3.5 59.6 1.0
C D:MET53 3.6 45.9 0.5
HD22 C:LEU379 3.6 43.9 1.0
C C:LEU379 3.6 45.3 1.0
C D:MET53 3.7 45.9 0.5
NE C:ARG382 3.7 51.6 1.0
CD D:GLU55 3.7 50.7 1.0
CA C:LEU379 3.9 41.4 1.0
HG3 C:PRO87 4.0 53.5 1.0
N C:SER88 4.0 40.0 1.0
CG C:PRO87 4.0 44.3 1.0
HD13 C:LEU379 4.0 53.3 1.0
HA C:LEU379 4.0 50.0 1.0
N D:ILE54 4.1 49.9 1.0
CA D:ILE54 4.1 47.3 1.0
CG C:LEU379 4.2 41.7 1.0
C C:PRO87 4.2 48.3 1.0
HA D:MET53 4.2 60.2 0.5
O D:HIS52 4.2 48.2 1.0
CD2 C:LEU379 4.2 36.2 1.0
HA D:MET53 4.3 60.2 0.5
HG3 D:GLU55 4.3 56.9 1.0
N C:GLN380 4.4 41.6 1.0
C D:ILE54 4.4 44.0 1.0
HD23 C:LEU379 4.4 43.9 1.0
HA C:GLN380 4.4 52.4 1.0
HG2 C:PRO87 4.4 53.5 1.0
CA D:MET53 4.5 49.9 0.5
CA D:MET53 4.5 49.9 0.5
OE1 D:GLU55 4.5 46.5 1.0
NH1 C:ARG382 4.6 54.6 1.0
CD1 C:LEU379 4.6 44.1 1.0
O D:ILE54 4.6 44.6 1.0
CG D:GLU55 4.6 47.1 1.0
H D:ILE54 4.7 60.3 0.5
N C:PRO87 4.7 42.2 1.0
HB2 C:ARG382 4.7 57.1 1.0
H D:ILE54 4.7 60.3 0.5
HH12 C:ARG382 4.7 65.9 1.0
H C:GLN380 4.8 50.4 1.0
C D:HIS52 4.8 51.0 1.0
HD12 C:LEU379 4.9 53.3 1.0
HA C:SER88 4.9 53.7 1.0
CA C:GLN380 5.0 43.4 1.0
N D:MET53 5.0 48.9 0.5
N D:GLU55 5.0 45.7 1.0

Calcium binding site 5 out of 7 in 7m1z

Go back to Calcium Binding Sites List in 7m1z
Calcium binding site 5 out of 7 in the Targeting Enterococcus Faecalis Hmg-Coa Reductase with A Novel Non- Statin Inhibitor


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Targeting Enterococcus Faecalis Hmg-Coa Reductase with A Novel Non- Statin Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca506

b:93.9
occ:1.00
 O C:HOH609 2.1 82.5 1.0
OD1 C:ASP158 2.6 86.1 1.0
O C:LEU159 2.7 81.1 1.0
O C:HOH657 2.8 92.1 1.0
CG C:ASP158 3.6 82.1 1.0
H C:LEU159 3.6 107.5 1.0
OD2 C:ASP158 3.8 84.3 1.0
C C:LEU159 3.9 89.7 1.0
HG3 C:GLN160 4.0 97.5 1.0
N C:LEU159 4.3 89.3 1.0
HG2 C:GLN160 4.3 97.5 1.0
HA C:GLN160 4.3 104.4 1.0
CG C:GLN160 4.6 80.9 1.0
OE2 C:GLU135 4.6 89.7 1.0
CA C:LEU159 4.7 82.5 1.0
HB2 C:LEU159 4.8 96.8 1.0
HE1 C:TYR161 4.8 117.8 1.0
N C:GLN160 4.9 91.1 1.0
HA C:ASP158 4.9 89.8 1.0
CB C:ASP158 4.9 72.1 1.0
CA C:GLN160 5.0 86.7 1.0

Calcium binding site 6 out of 7 in 7m1z

Go back to Calcium Binding Sites List in 7m1z
Calcium binding site 6 out of 7 in the Targeting Enterococcus Faecalis Hmg-Coa Reductase with A Novel Non- Statin Inhibitor


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Targeting Enterococcus Faecalis Hmg-Coa Reductase with A Novel Non- Statin Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca502

b:77.7
occ:1.00
 O D:HOH621 2.4 73.7 1.0
O D:LEU159 2.4 67.0 1.0
O D:HOH640 2.5 75.8 1.0
OD1 D:ASP158 2.8 92.7 1.0
H D:LEU159 3.1 89.6 1.0
OD2 D:ASP158 3.2 82.0 1.0
CG D:ASP158 3.3 90.3 1.0
O D:HOH635 3.3 76.9 1.0
C D:LEU159 3.6 69.5 1.0
N D:LEU159 3.8 74.4 1.0
HG2 D:GLN160 3.9 88.6 1.0
HB2 D:LEU159 4.0 88.2 1.0
OE2 D:GLU135 4.0 72.5 1.0
CA D:LEU159 4.2 75.1 1.0
HA D:GLN160 4.3 79.5 1.0
HE1 D:TYR161 4.4 95.7 1.0
N D:GLN160 4.6 72.1 1.0
CB D:LEU159 4.7 73.2 1.0
CB D:ASP158 4.7 74.8 1.0
HA D:ASP158 4.7 91.4 1.0
HE21 D:GLN132 4.7 111.6 1.0
OE1 D:GLU135 4.8 71.0 1.0
CG D:GLN160 4.8 73.5 1.0
HG3 D:GLN160 4.8 88.6 1.0
CD D:GLU135 4.8 70.8 1.0
C D:ASP158 4.9 68.0 1.0
CA D:GLN160 4.9 66.0 1.0

Calcium binding site 7 out of 7 in 7m1z

Go back to Calcium Binding Sites List in 7m1z
Calcium binding site 7 out of 7 in the Targeting Enterococcus Faecalis Hmg-Coa Reductase with A Novel Non- Statin Inhibitor


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Targeting Enterococcus Faecalis Hmg-Coa Reductase with A Novel Non- Statin Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca503

b:89.5
occ:1.00
 O C:GLN31 2.3 70.5 1.0
OD1 D:ASP338 2.4 76.5 1.0
O D:ASP338 2.5 71.2 1.0
O D:HOH650 2.6 79.8 1.0
O D:HOH607 2.8 72.5 1.0
HB2 D:ALA341 2.9 87.2 1.0
C C:GLN31 3.1 72.8 1.0
HA C:ILE32 3.3 88.6 1.0
C D:ASP338 3.5 69.1 1.0
HA C:GLN31 3.5 88.5 1.0
CG D:ASP338 3.6 70.4 1.0
CB D:ALA341 3.8 72.3 1.0
HA D:LEU339 3.8 80.2 1.0
N C:ILE32 3.9 72.7 1.0
CA C:GLN31 3.9 74.3 1.0
HG22 C:ILE32 4.0 87.4 1.0
CA C:ILE32 4.0 73.5 1.0
HA D:ASP338 4.1 77.3 1.0
HB1 D:ALA341 4.1 87.2 1.0
HB3 D:ALA341 4.2 87.2 1.0
CA D:ASP338 4.3 64.1 1.0
O C:GLY30 4.3 77.0 1.0
N D:LEU339 4.3 64.7 1.0
O D:LEU339 4.4 68.8 1.0
CA D:LEU339 4.4 66.5 1.0
OD2 D:ASP338 4.5 75.0 1.0
CB D:ASP338 4.6 63.5 1.0
H C:ILE32 4.6 87.6 1.0
HB3 C:GLN31 4.6 87.2 1.0
C D:LEU339 4.6 67.3 1.0
HG23 C:ILE32 4.7 87.4 1.0
CG2 C:ILE32 4.7 72.5 1.0
OE1 C:GLN31 4.7 78.6 1.0
HA D:ALA341 4.8 87.4 1.0
H D:ALA341 4.8 78.8 1.0
CA D:ALA341 4.8 72.5 1.0
N C:GLN31 4.8 76.1 1.0
CB C:GLN31 4.9 74.2 1.0
N D:ALA341 5.0 66.7 1.0
C C:GLY30 5.0 77.4 1.0

Reference:

S.Bose, C.N.Steussy, C.V.Stauffacher. Targeting Enterococcus Faecalis Hmg-Coa Reductase with A Novel Non-Statin Inhibitor To Be Published.
Page generated: Fri Jul 19 01:52:47 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy