Magnesium in PDB 8bw1: Yeast 20S Proteasome in Complex with An Engineered Fellutamide Derivative (C14QAL)

Enzymatic activity of Yeast 20S Proteasome in Complex with An Engineered Fellutamide Derivative (C14QAL)

All present enzymatic activity of Yeast 20S Proteasome in Complex with An Engineered Fellutamide Derivative (C14QAL):
3.4.25.1;

Protein crystallography data

The structure of Yeast 20S Proteasome in Complex with An Engineered Fellutamide Derivative (C14QAL), PDB code: 8bw1 was solved by K.A.J.Bozhueyuek, L.Praeve, C.Kegler, S.Kaiser, Y.Shi, W.Kuttenlochner, L.Schenk, M.Groll, G.K.A.Hochberg, H.B.Bode, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 3.25
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 134.97, 300.87, 143.98, 90, 112.78, 90
R / Rfree (%) 17.5 / 21.2

Other elements in 8bw1:

The structure of Yeast 20S Proteasome in Complex with An Engineered Fellutamide Derivative (C14QAL) also contains other interesting chemical elements:

Chlorine (Cl) 3 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Yeast 20S Proteasome in Complex with An Engineered Fellutamide Derivative (C14QAL) (pdb code 8bw1). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 8 binding sites of Magnesium where determined in the Yeast 20S Proteasome in Complex with An Engineered Fellutamide Derivative (C14QAL), PDB code: 8bw1:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Magnesium binding site 1 out of 8 in 8bw1

Go back to Magnesium Binding Sites List in 8bw1
Magnesium binding site 1 out of 8 in the Yeast 20S Proteasome in Complex with An Engineered Fellutamide Derivative (C14QAL)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Yeast 20S Proteasome in Complex with An Engineered Fellutamide Derivative (C14QAL) within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Mg301

b:77.7
occ:1.00
 O G:MET125 2.4 85.0 1.0
OG1 G:THR8 2.7 83.2 1.0
O G:ALA123 3.0 85.8 1.0
O G:ARG122 3.1 84.4 1.0
CG2 G:THR8 3.2 85.5 1.0
O G:TYR119 3.3 69.4 1.0
CB G:THR8 3.5 83.9 1.0
C G:MET125 3.5 86.8 1.0
C G:ALA123 3.5 87.8 1.0
CA G:ALA123 3.6 86.2 1.0
N G:THR8 3.7 86.0 1.0
C G:ARG122 4.0 86.0 1.0
CA G:ARG126 4.1 81.0 1.0
N G:ARG126 4.1 83.1 1.0
CA G:THR8 4.2 84.8 1.0
N G:ALA123 4.3 85.3 1.0
N G:MET125 4.4 92.3 1.0
CD G:PRO127 4.5 79.6 1.0
N G:TYR124 4.6 90.9 1.0
CA G:MET125 4.6 94.1 1.0
C G:TYR119 4.6 72.3 1.0
C G:ILE7 4.7 89.3 1.0
CA G:ILE7 4.8 90.7 1.0
C G:ARG126 4.9 79.6 1.0
CB G:ALA123 4.9 86.2 1.0
C G:TYR124 4.9 90.6 1.0

Magnesium binding site 2 out of 8 in 8bw1

Go back to Magnesium Binding Sites List in 8bw1
Magnesium binding site 2 out of 8 in the Yeast 20S Proteasome in Complex with An Engineered Fellutamide Derivative (C14QAL)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Yeast 20S Proteasome in Complex with An Engineered Fellutamide Derivative (C14QAL) within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Mg301

b:89.1
occ:1.00
 O I:ASP177 2.5 78.3 1.0
O I:ALA174 2.9 84.6 1.0
O I:SER180 2.9 83.9 1.0
OXT I:ASP204 3.6 108.9 1.0
C I:ASP177 3.7 82.4 1.0
C I:ALA174 3.9 85.9 1.0
C I:SER180 4.1 83.4 1.0
CA I:ASP175 4.1 90.8 1.0
NH2 Y:ARG19 4.2 98.3 1.0
O I:ASP204 4.3 105.5 1.0
C I:ASP204 4.4 104.5 1.0
C I:ASP175 4.4 87.9 1.0
O I:ALA178 4.4 86.5 1.0
CA I:ALA178 4.4 84.0 1.0
N I:ALA178 4.4 81.8 1.0
O I:ASP175 4.4 87.6 1.0
N I:ASP175 4.5 86.4 1.0
N I:ASP177 4.5 85.0 1.0
C I:ALA178 4.5 84.2 1.0
CA I:ASP177 4.7 84.7 1.0
NH1 Y:ARG19 4.8 98.8 1.0
CZ Y:ARG19 4.8 97.7 1.0
N I:SER180 4.8 80.0 1.0
CA I:GLY181 4.9 88.5 1.0
N I:GLY181 4.9 85.8 1.0
OD1 I:ASP175 4.9 104.7 1.0

Magnesium binding site 3 out of 8 in 8bw1

Go back to Magnesium Binding Sites List in 8bw1
Magnesium binding site 3 out of 8 in the Yeast 20S Proteasome in Complex with An Engineered Fellutamide Derivative (C14QAL)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Yeast 20S Proteasome in Complex with An Engineered Fellutamide Derivative (C14QAL) within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Mg201

b:44.6
occ:1.00
 OE1 J:GLN118 3.4 77.9 1.0
O J:THR124 3.7 72.2 1.0
OD2 J:ASP120 3.8 88.5 1.0
CB J:ASP120 3.9 80.5 1.0
CG J:ASP120 4.0 83.7 1.0
CG2 J:THR124 4.2 74.6 1.0
CB J:THR124 4.2 73.9 1.0
CD J:GLN118 4.3 76.1 1.0
N J:ASP120 4.3 75.4 1.0
CG J:GLN118 4.5 75.8 1.0
CE1 J:HIS133 4.6 78.6 1.0
CG1 I:VAL35 4.6 87.5 1.0
O J:GLN118 4.6 75.5 1.0
OD1 J:ASP120 4.7 87.5 1.0
C J:THR124 4.7 72.2 1.0
CA J:ASP120 4.7 76.8 1.0
CD2 I:LEU28 4.8 83.0 1.0
OG I:SER30 4.8 89.9 1.0
C J:ILE119 5.0 74.5 1.0

Magnesium binding site 4 out of 8 in 8bw1

Go back to Magnesium Binding Sites List in 8bw1
Magnesium binding site 4 out of 8 in the Yeast 20S Proteasome in Complex with An Engineered Fellutamide Derivative (C14QAL)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Yeast 20S Proteasome in Complex with An Engineered Fellutamide Derivative (C14QAL) within 5.0Å range:
probe atom residue distance (Å) B Occ
K:Mg301

b:95.2
occ:1.00
 O K:ALA165 2.2 81.5 1.0
O K:ASP168 2.3 79.3 1.0
O W:ASP204 2.5 108.7 1.0
O K:SER171 2.7 83.9 1.0
C W:ASP204 3.2 106.0 1.0
C K:ASP168 3.3 80.5 1.0
C K:ALA165 3.4 82.2 1.0
CA W:ASP204 3.5 100.9 1.0
O K:HIS166 3.6 84.0 1.0
NH1 K:ARG19 3.6 106.1 1.0
CA K:ALA169 3.7 83.9 1.0
N K:ALA169 3.8 81.9 1.0
CB W:ASP204 3.9 99.6 1.0
C K:ALA169 4.0 84.9 1.0
C K:SER171 4.0 82.5 1.0
O K:ALA169 4.0 86.5 1.0
C K:HIS166 4.0 82.6 1.0
OXT W:ASP204 4.2 114.4 1.0
CA K:ALA165 4.3 82.7 1.0
N K:HIS166 4.3 82.1 1.0
N K:ASP168 4.4 79.7 1.0
CA K:ASP168 4.5 80.7 1.0
N K:SER171 4.5 81.5 1.0
O K:ALA164 4.5 86.8 1.0
CA K:HIS166 4.5 84.6 1.0
C K:ARG167 4.5 78.7 1.0
N K:ARG167 4.7 81.0 1.0
O K:ARG167 4.7 73.7 1.0
CZ K:ARG19 4.7 103.5 1.0
N K:TYR170 4.7 82.7 1.0
CA K:SER171 4.8 80.8 1.0
N K:GLY172 4.9 81.8 1.0
N W:ASP204 4.9 97.4 1.0
CB K:ALA169 5.0 85.1 1.0

Magnesium binding site 5 out of 8 in 8bw1

Go back to Magnesium Binding Sites List in 8bw1
Magnesium binding site 5 out of 8 in the Yeast 20S Proteasome in Complex with An Engineered Fellutamide Derivative (C14QAL)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Yeast 20S Proteasome in Complex with An Engineered Fellutamide Derivative (C14QAL) within 5.0Å range:
probe atom residue distance (Å) B Occ
N:Mg201

b:78.7
occ:1.00
 O N:ILE163 2.6 72.8 1.0
O N:SER169 2.7 77.7 1.0
O N:ASP166 3.2 68.8 1.0
NH1 N:ARG19 3.4 81.5 1.0
CD1 a:LEU34 3.7 87.8 1.0
C N:ILE163 3.8 74.4 1.0
C N:SER169 3.8 75.2 1.0
CG2 N:ILE163 4.0 76.5 1.0
CZ N:ARG19 4.1 80.3 1.0
CA N:GLY170 4.2 77.1 1.0
NH2 N:ARG19 4.3 83.6 1.0
C N:ASP166 4.3 71.2 1.0
N N:GLY170 4.5 75.9 1.0
CA N:ILE163 4.5 74.8 1.0
O N:GLY167 4.6 74.3 1.0
CA N:GLY167 4.7 73.0 1.0
N N:LYS164 4.7 75.0 1.0
O N:LYS164 4.8 76.4 1.0
C N:GLY167 4.9 73.3 1.0
CB N:ILE163 4.9 75.5 1.0
C N:LYS164 4.9 76.5 1.0
N N:GLY167 4.9 71.3 1.0
CA N:LYS164 4.9 76.1 1.0
CA N:SER169 5.0 73.5 1.0

Magnesium binding site 6 out of 8 in 8bw1

Go back to Magnesium Binding Sites List in 8bw1
Magnesium binding site 6 out of 8 in the Yeast 20S Proteasome in Complex with An Engineered Fellutamide Derivative (C14QAL)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Yeast 20S Proteasome in Complex with An Engineered Fellutamide Derivative (C14QAL) within 5.0Å range:
probe atom residue distance (Å) B Occ
V:Mg301

b:111.7
occ:1.00
 OXT L:ASP222 2.2 115.6 1.0
O V:ASP166 2.3 79.6 1.0
O V:ILE163 2.3 81.8 1.0
C L:ASP222 3.0 111.3 1.0
C V:ASP166 3.1 80.9 1.0
O V:TRP164 3.1 84.1 1.0
O V:SER169 3.4 83.6 1.0
C V:ILE163 3.4 83.9 1.0
C V:TRP164 3.5 84.8 1.0
CA L:ASP222 3.6 109.8 1.0
O L:ASP222 3.7 115.2 1.0
N V:LEU167 3.8 80.5 1.0
N V:ASP166 3.8 81.0 1.0
CA V:LEU167 3.9 81.7 1.0
CA V:TRP164 4.0 84.7 1.0
N V:TRP164 4.0 84.6 1.0
CA V:ASP166 4.1 81.2 1.0
O V:GLY162 4.2 81.6 1.0
N V:ASN165 4.2 82.7 1.0
NH1 V:ARG19 4.5 99.0 1.0
C V:LEU167 4.5 83.1 1.0
O L:ARG221 4.5 100.8 1.0
C V:ASN165 4.5 82.6 1.0
CB L:ASP222 4.5 108.5 1.0
CA V:ILE163 4.5 85.0 1.0
C V:SER169 4.5 86.4 1.0
O V:LEU167 4.5 84.7 1.0
CD2 V:LEU167 4.6 78.7 1.0
N L:ASP222 4.8 106.5 1.0
CD1 L:ILE35 4.8 86.3 1.0
CA V:ASN165 4.8 82.2 1.0

Magnesium binding site 7 out of 8 in 8bw1

Go back to Magnesium Binding Sites List in 8bw1
Magnesium binding site 7 out of 8 in the Yeast 20S Proteasome in Complex with An Engineered Fellutamide Derivative (C14QAL)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Yeast 20S Proteasome in Complex with An Engineered Fellutamide Derivative (C14QAL) within 5.0Å range:
probe atom residue distance (Å) B Occ
Y:Mg301

b:82.6
occ:1.00
 O Y:ASP168 2.4 82.8 1.0
O I:ASP204 2.4 105.5 1.0
O Y:ALA165 2.4 81.7 1.0
O Y:SER171 2.8 88.3 1.0
C I:ASP204 3.1 104.5 1.0
C Y:ASP168 3.3 82.7 1.0
NH1 Y:ARG19 3.5 98.8 1.0
CA I:ASP204 3.5 103.4 1.0
CA Y:ALA169 3.5 80.2 1.0
C Y:ALA165 3.6 80.3 1.0
O Y:HIS166 3.7 79.1 1.0
N Y:ALA169 3.8 81.7 1.0
C Y:ALA169 3.8 78.9 1.0
O Y:ALA169 3.9 75.8 1.0
CB I:ASP204 3.9 106.0 1.0
C Y:SER171 4.0 87.0 1.0
OXT I:ASP204 4.1 108.9 1.0
C Y:HIS166 4.2 81.0 1.0
CA Y:ALA165 4.5 81.2 1.0
N Y:SER171 4.5 81.7 1.0
N Y:ASP168 4.5 86.3 1.0
CA Y:ASP168 4.5 84.2 1.0
N Y:HIS166 4.6 81.0 1.0
CZ Y:ARG19 4.6 97.7 1.0
C Y:ARG167 4.6 85.1 1.0
N Y:TYR170 4.7 78.8 1.0
CA Y:HIS166 4.7 81.8 1.0
O Y:ALA164 4.7 81.0 1.0
O Y:ARG167 4.7 81.2 1.0
CB Y:ALA169 4.8 80.3 1.0
CA Y:SER171 4.8 83.9 1.0
N Y:ARG167 4.8 83.4 1.0
N I:ASP204 4.9 99.8 1.0

Magnesium binding site 8 out of 8 in 8bw1

Go back to Magnesium Binding Sites List in 8bw1
Magnesium binding site 8 out of 8 in the Yeast 20S Proteasome in Complex with An Engineered Fellutamide Derivative (C14QAL)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of Yeast 20S Proteasome in Complex with An Engineered Fellutamide Derivative (C14QAL) within 5.0Å range:
probe atom residue distance (Å) B Occ
Z:Mg301

b:83.8
occ:1.00
 O Z:VAL198 2.7 83.9 1.0
O Z:THR192 2.9 90.8 1.0
O Z:ASP222 3.3 119.6 1.0
O Z:HIS195 3.3 83.0 1.0
NH2 Z:ARG28 3.5 100.1 1.0
CG2 Z:THR192 3.8 90.2 1.0
O Z:ILE196 3.9 88.8 1.0
OD1 Z:ASP222 4.0 111.3 1.0
C Z:VAL198 4.0 86.1 1.0
C Z:THR192 4.0 90.6 1.0
NH2 H:ARG19 4.1 106.0 1.0
CA Z:ILE196 4.1 88.6 1.0
C Z:ASP222 4.2 119.5 1.0
C Z:ILE196 4.2 88.5 1.0
C Z:HIS195 4.3 85.7 1.0
CA Z:THR192 4.4 90.0 1.0
CZ Z:ARG28 4.4 97.1 1.0
NH1 Z:ARG28 4.5 99.4 1.0
OXT Z:ASP222 4.6 121.0 1.0
N Z:ILE196 4.7 86.8 1.0
CA Z:GLY199 4.7 86.7 1.0
CB Z:THR192 4.7 89.7 1.0
O Z:LYS220 4.7 108.0 1.0
CG Z:ASP222 4.8 116.3 1.0
N Z:GLY199 4.8 84.6 1.0
N Z:VAL198 4.8 86.7 1.0
NH1 H:ARG19 4.9 106.8 1.0
CZ H:ARG19 4.9 104.8 1.0
CA Z:VAL198 5.0 85.0 1.0

Reference:

K.A.J.Bozhueyuek, L.Praeve, C.Kegler, S.Kaiser, Y.Shi, W.Kuttenlochner, L.Schenk, M.Groll, G.K.A.Hochberg, H.B.Bode. Evolutionary Inspired Engineering of Megasynthetases To Be Published.
Page generated: Thu Oct 3 19:53:15 2024

Last articles

Zn in 9MJ5
Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy