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Manganese in PDB 6quk: Protein Crystallization By Ionic Liquid Hydrogel Support: Glucose Isomerase Grown By Using Ionic Liquid Hydrogel

Enzymatic activity of Protein Crystallization By Ionic Liquid Hydrogel Support: Glucose Isomerase Grown By Using Ionic Liquid Hydrogel

All present enzymatic activity of Protein Crystallization By Ionic Liquid Hydrogel Support: Glucose Isomerase Grown By Using Ionic Liquid Hydrogel:
5.3.1.5;

Protein crystallography data

The structure of Protein Crystallization By Ionic Liquid Hydrogel Support: Glucose Isomerase Grown By Using Ionic Liquid Hydrogel, PDB code: 6quk was solved by B.D.Belviso, R.Caliandro, R.Caliandro, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 62.98 / 1.58
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 85.900, 92.598, 99.111, 90.00, 90.00, 90.00
R / Rfree (%) 16.7 / 19.4

Manganese Binding Sites:

The binding sites of Manganese atom in the Protein Crystallization By Ionic Liquid Hydrogel Support: Glucose Isomerase Grown By Using Ionic Liquid Hydrogel (pdb code 6quk). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the Protein Crystallization By Ionic Liquid Hydrogel Support: Glucose Isomerase Grown By Using Ionic Liquid Hydrogel, PDB code: 6quk:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in 6quk

Go back to Manganese Binding Sites List in 6quk
Manganese binding site 1 out of 4 in the Protein Crystallization By Ionic Liquid Hydrogel Support: Glucose Isomerase Grown By Using Ionic Liquid Hydrogel


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Protein Crystallization By Ionic Liquid Hydrogel Support: Glucose Isomerase Grown By Using Ionic Liquid Hydrogel within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn401

b:8.1
occ:0.56
 OE2 A:GLU181 2.0 16.1 1.0
OE1 A:GLU217 2.0 13.6 1.0
OD2 A:ASP287 2.0 10.7 1.0
OD2 A:ASP245 2.2 11.9 1.0
O2 A:GOL403 2.3 18.4 1.0
O1 A:GOL403 2.6 27.7 1.0
HO2 A:GOL403 2.9 18.1 0.0
CD A:GLU181 2.9 14.1 1.0
CG A:ASP287 3.1 9.4 1.0
HO1 A:GOL403 3.1 27.8 0.0
CD A:GLU217 3.2 10.6 1.0
OE1 A:GLU181 3.3 13.5 1.0
C2 A:GOL403 3.3 19.5 1.0
HB3 A:ASP287 3.3 8.5 1.0
CG A:ASP245 3.3 9.4 1.0
C1 A:GOL403 3.4 25.0 1.0
HB2 A:GLU217 3.4 7.9 1.0
HB2 A:ASP287 3.5 8.5 1.0
CB A:ASP287 3.6 8.5 1.0
H12 A:GOL403 3.6 23.9 1.0
HE1 A:HIS220 3.7 10.2 1.0
HB3 A:ASP245 3.7 8.1 1.0
H2 A:GOL403 3.7 19.6 1.0
O A:HOH520 3.7 17.0 1.0
O A:HOH730 3.9 13.9 1.0
CB A:ASP245 3.9 7.8 1.0
HB2 A:ASP245 3.9 8.1 1.0
CG A:GLU217 4.1 8.6 1.0
CE1 A:HIS220 4.1 10.6 1.0
OE2 A:GLU217 4.1 13.6 1.0
CB A:GLU217 4.1 8.0 1.0
HG3 A:GLU217 4.2 8.9 1.0
OD1 A:ASP287 4.2 9.4 1.0
H11 A:GOL403 4.2 24.0 1.0
CG A:GLU181 4.3 11.8 1.0
OD1 A:ASP245 4.4 9.3 1.0
HB3 A:GLU217 4.4 7.9 1.0
HE2 A:HIS220 4.5 10.5 0.0
HG2 A:GLU181 4.5 11.9 1.0
NE2 A:HIS220 4.5 10.2 1.0
HG3 A:GLU181 4.5 11.9 1.0
HZ2 A:TRP16 4.6 7.5 1.0
HD21 A:ASN215 4.6 7.8 0.0
C3 A:GOL403 4.6 16.8 1.0
H31 A:GOL403 4.6 17.1 1.0
HD22 A:ASN215 4.8 7.8 0.0
ND1 A:HIS220 4.8 9.6 1.0
MN A:MN402 4.9 7.3 0.5
H32 A:GOL403 4.9 17.1 1.0
ND2 A:ASN215 5.0 7.6 1.0
HG2 A:GLU217 5.0 8.9 1.0

Manganese binding site 2 out of 4 in 6quk

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Manganese binding site 2 out of 4 in the Protein Crystallization By Ionic Liquid Hydrogel Support: Glucose Isomerase Grown By Using Ionic Liquid Hydrogel


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Protein Crystallization By Ionic Liquid Hydrogel Support: Glucose Isomerase Grown By Using Ionic Liquid Hydrogel within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn402

b:7.3
occ:0.51
 OD2 A:ASP255 2.0 17.1 1.0
O A:HOH730 2.0 13.9 1.0
OE2 A:GLU217 2.0 13.6 1.0
HE2 A:HIS220 2.1 10.5 0.0
OD1 A:ASP257 2.2 12.9 1.0
OD1 A:ASP255 2.5 19.8 1.0
CG A:ASP255 2.5 14.7 1.0
NE2 A:HIS220 2.8 10.2 1.0
CD A:GLU217 3.0 10.6 1.0
CG A:ASP257 3.1 11.8 1.0
HD2 A:HIS220 3.1 9.7 1.0
HD21 A:ASN247 3.2 8.0 0.0
CD2 A:HIS220 3.3 10.0 1.0
OD2 A:ASP257 3.3 16.5 1.0
OE1 A:GLU217 3.4 13.6 1.0
O A:HOH770 3.6 30.0 1.0
HD22 A:ASN247 3.7 8.0 0.0
ND2 A:ASN247 3.8 7.8 1.0
CE1 A:HIS220 3.9 10.6 1.0
HE3 A:LYS183 3.9 8.7 1.0
CB A:ASP255 4.0 11.3 1.0
O A:HOH565 4.1 11.2 1.0
HO1 A:GOL403 4.2 27.8 0.0
HE1 A:HIS220 4.3 10.2 1.0
HB3 A:ASP255 4.3 11.5 1.0
HB2 A:ASP255 4.4 11.5 1.0
CG A:GLU217 4.4 8.6 1.0
HG2 A:GLU217 4.4 8.9 1.0
HA A:ASP257 4.5 9.0 1.0
CG A:HIS220 4.5 8.9 1.0
CB A:ASP257 4.5 10.5 1.0
O1 A:GOL403 4.6 27.7 1.0
HZ1 A:LYS183 4.6 9.6 1.0
OD2 A:ASP287 4.6 10.7 1.0
H A:ASP257 4.6 8.8 1.0
O A:HOH552 4.7 35.6 1.0
HA3 A:GLY219 4.8 5.7 1.0
ND1 A:HIS220 4.8 9.6 1.0
HZ2 A:LYS183 4.8 9.6 1.0
CE A:LYS183 4.8 8.7 1.0
MN A:MN401 4.9 8.1 0.6
CA A:ASP257 4.9 8.9 1.0
HG3 A:GLU217 4.9 8.9 1.0
NZ A:LYS183 5.0 10.1 1.0
O A:ASP287 5.0 7.4 1.0
HA A:ASP255 5.0 9.4 1.0
N A:ASP257 5.0 8.7 1.0

Manganese binding site 3 out of 4 in 6quk

Go back to Manganese Binding Sites List in 6quk
Manganese binding site 3 out of 4 in the Protein Crystallization By Ionic Liquid Hydrogel Support: Glucose Isomerase Grown By Using Ionic Liquid Hydrogel


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Protein Crystallization By Ionic Liquid Hydrogel Support: Glucose Isomerase Grown By Using Ionic Liquid Hydrogel within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn401

b:7.1
occ:0.51
 OE2 B:GLU217 2.0 11.1 1.0
O B:HOH707 2.0 17.1 1.0
HE2 B:HIS220 2.0 10.9 0.0
OD2 B:ASP255 2.0 17.0 1.0
OD1 B:ASP257 2.2 14.9 1.0
OD1 B:ASP255 2.4 17.4 1.0
CG B:ASP255 2.5 14.1 1.0
NE2 B:HIS220 2.7 10.1 1.0
HD2 B:HIS220 3.0 9.0 1.0
CD B:GLU217 3.0 10.1 1.0
CG B:ASP257 3.1 12.9 1.0
CD2 B:HIS220 3.2 9.0 1.0
HD21 B:ASN247 3.3 8.0 0.0
OD2 B:ASP257 3.3 19.1 1.0
OE1 B:GLU217 3.5 14.9 1.0
O B:HOH706 3.6 28.5 1.0
CE1 B:HIS220 3.8 9.7 1.0
HD22 B:ASN247 3.8 8.0 0.0
ND2 B:ASN247 3.9 8.1 1.0
CB B:ASP255 4.0 11.3 1.0
HE3 B:LYS183 4.1 9.6 1.0
O B:HOH562 4.1 11.3 1.0
HE1 B:HIS220 4.2 9.5 1.0
HZ1 B:LYS183 4.2 10.5 1.0
HG2 B:GLU217 4.3 8.2 1.0
CG B:GLU217 4.3 7.9 1.0
HB3 B:ASP255 4.4 11.5 1.0
HB2 B:ASP255 4.4 11.5 1.0
CG B:HIS220 4.4 8.0 1.0
OD2 B:ASP287 4.5 11.9 1.0
CB B:ASP257 4.5 11.1 1.0
HA B:ASP257 4.5 9.7 1.0
H B:ASP257 4.6 9.4 1.0
HZ2 B:LYS183 4.6 10.5 1.0
ND1 B:HIS220 4.7 8.6 1.0
O3 B:GOL403 4.7 30.4 1.0
NZ B:LYS183 4.7 10.9 1.0
O B:HOH549 4.7 31.7 1.0
HA3 B:GLY219 4.8 5.6 1.0
CE B:LYS183 4.8 9.6 1.0
MN B:MN402 4.9 5.6 0.5
HG3 B:GLU217 4.9 8.2 1.0
HO3 B:GOL403 4.9 29.8 1.0
CA B:ASP257 4.9 9.5 1.0
HD2 B:LYS183 5.0 8.7 1.0
HZ3 B:LYS289 5.0 19.9 1.0

Manganese binding site 4 out of 4 in 6quk

Go back to Manganese Binding Sites List in 6quk
Manganese binding site 4 out of 4 in the Protein Crystallization By Ionic Liquid Hydrogel Support: Glucose Isomerase Grown By Using Ionic Liquid Hydrogel


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Protein Crystallization By Ionic Liquid Hydrogel Support: Glucose Isomerase Grown By Using Ionic Liquid Hydrogel within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn402

b:5.6
occ:0.50
 OE1 B:GLU217 1.9 14.9 1.0
HO2 B:GOL403 1.9 21.7 0.0
OD2 B:ASP287 2.0 11.9 1.0
OE2 B:GLU181 2.0 14.2 1.0
OD2 B:ASP245 2.2 10.3 1.0
O2 B:GOL403 2.3 22.4 1.0
HO3 B:GOL403 2.6 29.8 1.0
O3 B:GOL403 2.7 30.4 1.0
CD B:GLU181 2.9 12.7 1.0
CG B:ASP287 3.1 9.1 1.0
CD B:GLU217 3.2 10.1 1.0
C2 B:GOL403 3.2 24.0 1.0
OE1 B:GLU181 3.2 12.3 1.0
H2 B:GOL403 3.3 23.5 1.0
HB3 B:ASP287 3.3 8.4 1.0
CG B:ASP245 3.3 8.6 1.0
C3 B:GOL403 3.4 29.9 1.0
HB2 B:GLU217 3.4 7.5 1.0
HB2 B:ASP287 3.5 8.4 1.0
CB B:ASP287 3.5 8.5 1.0
H32 B:GOL403 3.6 28.4 1.0
HE1 B:HIS220 3.7 9.5 1.0
HB3 B:ASP245 3.7 7.8 1.0
O B:HOH515 3.8 16.0 1.0
O B:HOH707 3.9 17.1 1.0
HB2 B:ASP245 3.9 7.8 1.0
CB B:ASP245 3.9 7.7 1.0
OE2 B:GLU217 4.0 11.1 1.0
CE1 B:HIS220 4.0 9.7 1.0
CG B:GLU217 4.1 7.9 1.0
CB B:GLU217 4.1 7.5 1.0
OD1 B:ASP287 4.2 9.0 1.0
HG3 B:GLU217 4.2 8.2 1.0
H31 B:GOL403 4.3 28.3 1.0
CG B:GLU181 4.3 10.5 1.0
OD1 B:ASP245 4.4 8.8 1.0
HB3 B:GLU217 4.4 7.5 1.0
HE2 B:HIS220 4.5 10.9 0.0
NE2 B:HIS220 4.5 10.1 1.0
HG3 B:GLU181 4.5 10.8 1.0
HD21 B:ASN215 4.5 8.4 0.0
HG2 B:GLU181 4.6 10.8 1.0
C1 B:GOL403 4.6 19.0 1.0
HZ2 B:TRP16 4.6 8.1 1.0
HD22 B:ASN215 4.7 8.4 0.0
H11 B:GOL403 4.8 19.2 1.0
ND1 B:HIS220 4.8 8.6 1.0
MN B:MN401 4.9 7.1 0.5
O B:HOH706 4.9 28.5 1.0
H12 B:GOL403 4.9 19.2 1.0
HG2 B:GLU217 4.9 8.2 1.0
HD1 B:HIS220 4.9 8.7 0.0
ND2 B:ASN215 5.0 8.4 1.0

Reference:

B.D.Belviso, R.Caliandro, S.M.Salehi, G.Di Profio, R.Caliandro. Protein Crystallization in Ionic-Liquid Hydrogel Composite Membranes Crystals 2019.
ISSN: ESSN 2073-4352
DOI: 10.3390/CRYST9050253
Page generated: Sun Oct 6 06:08:56 2024

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