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Magnesium in PDB 3nl6: The Crystal Structure of Candida Glabrata THI6, A Bifunctional Enzyme Involved in Thiamin Biosyhthesis of Eukaryotes

Enzymatic activity of The Crystal Structure of Candida Glabrata THI6, A Bifunctional Enzyme Involved in Thiamin Biosyhthesis of Eukaryotes

All present enzymatic activity of The Crystal Structure of Candida Glabrata THI6, A Bifunctional Enzyme Involved in Thiamin Biosyhthesis of Eukaryotes:
2.5.1.3; 2.7.1.50;

Protein crystallography data

The structure of The Crystal Structure of Candida Glabrata THI6, A Bifunctional Enzyme Involved in Thiamin Biosyhthesis of Eukaryotes, PDB code: 3nl6 was solved by D.Paul, A.Chatterjee, T.P.Begley, S.E.Ealick, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.00 / 2.61
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 163.173, 153.528, 109.618, 90.00, 117.99, 90.00
R / Rfree (%) 22.1 / 27.1

Magnesium Binding Sites:

The binding sites of Magnesium atom in the The Crystal Structure of Candida Glabrata THI6, A Bifunctional Enzyme Involved in Thiamin Biosyhthesis of Eukaryotes (pdb code 3nl6). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the The Crystal Structure of Candida Glabrata THI6, A Bifunctional Enzyme Involved in Thiamin Biosyhthesis of Eukaryotes, PDB code: 3nl6:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in 3nl6

Go back to Magnesium Binding Sites List in 3nl6
Magnesium binding site 1 out of 3 in the The Crystal Structure of Candida Glabrata THI6, A Bifunctional Enzyme Involved in Thiamin Biosyhthesis of Eukaryotes


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The Crystal Structure of Candida Glabrata THI6, A Bifunctional Enzyme Involved in Thiamin Biosyhthesis of Eukaryotes within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg541

b:30.0
occ:1.00
O1B A:ACP799 2.6 0.4 1.0
O2B A:ACP799 3.1 0.7 1.0
PB A:ACP799 3.2 0.7 1.0
O2G A:ACP799 3.4 0.3 1.0
C3B A:ACP799 3.5 94.8 1.0
OD1 A:ASP340 3.7 59.9 1.0
PG A:ACP799 3.8 0.6 1.0
OD2 A:ASP340 3.8 53.0 1.0
O1G A:ACP799 3.8 0.3 1.0
OE2 A:GLU372 3.9 49.7 1.0
NZ A:LYS367 4.0 51.2 1.0
OE1 A:GLU372 4.1 55.6 1.0
CG A:ASP340 4.2 55.8 1.0
CA A:GLY465 4.4 59.1 1.0
CD A:GLU372 4.5 54.1 1.0
C A:GLY465 4.6 57.5 1.0
CE A:LYS367 4.6 46.6 1.0
N A:CYS466 4.6 56.0 1.0
O3A A:ACP799 4.8 0.9 1.0
SG A:CYS466 4.9 66.2 1.0
N A:GLY465 5.0 62.6 1.0

Magnesium binding site 2 out of 3 in 3nl6

Go back to Magnesium Binding Sites List in 3nl6
Magnesium binding site 2 out of 3 in the The Crystal Structure of Candida Glabrata THI6, A Bifunctional Enzyme Involved in Thiamin Biosyhthesis of Eukaryotes


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of The Crystal Structure of Candida Glabrata THI6, A Bifunctional Enzyme Involved in Thiamin Biosyhthesis of Eukaryotes within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg541

b:30.0
occ:1.00
O1B C:ACP899 1.8 0.1 1.0
PB C:ACP899 3.1 0.7 1.0
C3B C:ACP899 3.4 90.0 1.0
OD1 C:ASP340 3.4 69.2 1.0
O2G C:ACP899 3.6 0.0 1.0
O1G C:ACP899 3.6 0.5 1.0
PG C:ACP899 3.7 1.0 1.0
CG2 C:VAL342 3.7 20.0 1.0
OD2 C:ASP340 3.8 61.0 1.0
O2B C:ACP899 3.8 0.3 1.0
SG C:CYS466 3.9 73.8 1.0
CG C:ASP340 4.0 62.2 1.0
OE2 C:GLU372 4.2 65.1 1.0
O3A C:ACP899 4.3 0.9 1.0
OE1 C:GLU372 4.3 57.8 1.0
N C:CYS466 4.5 56.9 1.0
CB C:VAL342 4.5 20.0 1.0
CG1 C:VAL342 4.5 20.0 1.0
CA C:VAL342 4.6 30.0 1.0
NZ C:LYS367 4.7 56.0 1.0
CD C:GLU372 4.7 62.0 1.0
C C:GLY465 4.8 56.7 1.0
CA C:GLY465 4.8 60.8 1.0

Magnesium binding site 3 out of 3 in 3nl6

Go back to Magnesium Binding Sites List in 3nl6
Magnesium binding site 3 out of 3 in the The Crystal Structure of Candida Glabrata THI6, A Bifunctional Enzyme Involved in Thiamin Biosyhthesis of Eukaryotes


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of The Crystal Structure of Candida Glabrata THI6, A Bifunctional Enzyme Involved in Thiamin Biosyhthesis of Eukaryotes within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg541

b:30.0
occ:1.00
C3B B:ACP999 2.5 0.7 1.0
O2B B:ACP999 2.6 91.0 1.0
O2G B:ACP999 2.7 0.4 1.0
PG B:ACP999 2.8 0.7 1.0
O1G B:ACP999 3.1 0.1 1.0
PB B:ACP999 3.1 0.7 1.0
CA B:GLY465 4.0 64.2 1.0
O1B B:ACP999 4.1 0.0 1.0
N B:CYS466 4.1 58.8 1.0
NZ B:LYS367 4.3 60.5 1.0
O3G B:ACP999 4.3 77.8 1.0
C B:GLY465 4.3 57.8 1.0
N B:GLY465 4.3 68.8 1.0
OD1 B:ASP340 4.4 67.0 1.0
O3A B:ACP999 4.5 0.8 1.0
OE2 B:GLU372 4.6 56.8 1.0
OD2 B:ASP340 4.6 66.3 1.0
SG B:CYS466 4.6 73.0 1.0
ND2 B:ASN369 4.7 52.9 1.0
CE B:LYS367 4.8 58.2 1.0
O2A B:ACP999 4.8 0.7 1.0
OE1 B:GLU372 4.9 57.5 1.0
CG B:ASP340 5.0 67.5 1.0

Reference:

D.Paul, A.Chatterjee, T.P.Begley, S.E.Ealick. Domain Organization in Candida Glabrata THI6, A Bifunctional Enzyme Required For Thiamin Biosynthesis in Eukaryotes . Biochemistry V. 49 9922 2010.
ISSN: ISSN 0006-2960
PubMed: 20968298
DOI: 10.1021/BI101008U
Page generated: Mon Dec 14 08:29:03 2020

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