Atomistry » Magnesium » PDB 3tnq-3twp » 3ttz
Atomistry »
  Magnesium »
    PDB 3tnq-3twp »
      3ttz »

Magnesium in PDB 3ttz: Crystal Structure of A Topoisomerase Atpase Inhibitor

Enzymatic activity of Crystal Structure of A Topoisomerase Atpase Inhibitor

All present enzymatic activity of Crystal Structure of A Topoisomerase Atpase Inhibitor:
5.99.1.3;

Protein crystallography data

The structure of Crystal Structure of A Topoisomerase Atpase Inhibitor, PDB code: 3ttz was solved by P.A.Boriack-Sjodin, J.Read, A.E.Eakin, B.A.Sherer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 51.74 / 1.63
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 143.178, 55.629, 51.216, 90.00, 100.37, 90.00
R / Rfree (%) 17.3 / 19.4

Other elements in 3ttz:

The structure of Crystal Structure of A Topoisomerase Atpase Inhibitor also contains other interesting chemical elements:

Fluorine (F) 2 atoms
Chlorine (Cl) 4 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of A Topoisomerase Atpase Inhibitor (pdb code 3ttz). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 5 binding sites of Magnesium where determined in the Crystal Structure of A Topoisomerase Atpase Inhibitor, PDB code: 3ttz:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5;

Magnesium binding site 1 out of 5 in 3ttz

Go back to Magnesium Binding Sites List in 3ttz
Magnesium binding site 1 out of 5 in the Crystal Structure of A Topoisomerase Atpase Inhibitor


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of A Topoisomerase Atpase Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg234

b:34.9
occ:1.00
 O A:HOH415 1.9 21.6 1.0
O A:HOH239 2.1 27.2 1.0
O A:HOH11 2.2 12.8 1.0
O A:HOH127 2.3 22.5 1.0
O A:HOH374 2.4 23.7 0.5
O A:HOH12 3.8 10.5 1.0
OD2 A:ASP57 3.9 15.7 1.0
CB A:ASP57 4.1 10.2 1.0
OD1 A:ASN54 4.1 15.3 1.0
O A:HOH350 4.4 15.8 1.0
CG A:ASP57 4.5 12.2 1.0
C17 A:07N1 4.7 10.9 1.0
O A:ASN54 4.7 9.5 1.0
CA A:ASN54 4.8 9.9 1.0
O A:HOH349 5.0 27.8 1.0

Magnesium binding site 2 out of 5 in 3ttz

Go back to Magnesium Binding Sites List in 3ttz
Magnesium binding site 2 out of 5 in the Crystal Structure of A Topoisomerase Atpase Inhibitor


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of A Topoisomerase Atpase Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg235

b:25.2
occ:1.00
 O A:HOH327 1.9 20.9 1.0
O A:HOH340 2.0 18.0 1.0
O A:HOH351 2.1 28.7 1.0
O A:GLY208 2.2 14.4 1.0
O A:HOH324 2.3 20.9 1.0
NE2 A:HIS228 2.5 19.6 1.0
CE1 A:HIS228 3.3 19.6 1.0
C A:GLY208 3.3 13.8 1.0
CD2 A:HIS228 3.6 19.0 1.0
CA A:GLY208 3.9 14.5 1.0
O A:HOH281 4.2 22.7 1.0
O A:HOH381 4.2 30.1 1.0
CB A:ASN65 4.4 10.9 1.0
ND1 A:HIS228 4.4 19.1 1.0
N A:ILE209 4.4 12.9 1.0
O A:ASN65 4.5 10.7 1.0
CG A:HIS228 4.6 17.4 1.0
N A:GLN210 4.7 11.3 1.0
CA A:ILE209 4.8 12.0 1.0
CG A:ASN65 4.9 12.0 1.0
C A:ILE209 4.9 11.7 1.0

Magnesium binding site 3 out of 5 in 3ttz

Go back to Magnesium Binding Sites List in 3ttz
Magnesium binding site 3 out of 5 in the Crystal Structure of A Topoisomerase Atpase Inhibitor


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of A Topoisomerase Atpase Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg1

b:31.4
occ:1.00
 O B:HOH371 2.0 27.7 1.0
O B:HOH398 2.0 35.9 1.0
O B:HOH316 2.1 18.6 1.0
O B:HOH331 2.1 25.6 1.0
O B:HOH361 2.3 33.0 1.0
OD1 B:ASN54 2.4 16.3 1.0
CG B:ASN54 3.5 12.1 1.0
OD2 B:ASP53 3.8 12.9 0.5
O B:HOH347 3.9 33.9 1.0
O B:HOH306 4.0 22.9 1.0
ND2 B:ASN54 4.1 14.4 1.0
O B:HOH362 4.2 33.1 1.0
O B:GLU50 4.2 11.2 1.0
OD2 B:ASP57 4.3 14.2 1.0
N B:ASN54 4.4 10.3 1.0
CB B:ASP53 4.5 11.1 0.5
CA B:ASN54 4.5 10.3 1.0
CB B:ASP53 4.5 11.1 0.5
CB B:ASN54 4.6 10.6 1.0
CG B:ASP53 4.6 12.0 0.5
OE1 B:GLU50 4.7 19.1 1.0
C B:ASP53 4.8 10.6 0.5
C B:ASP53 4.8 10.6 0.5

Magnesium binding site 4 out of 5 in 3ttz

Go back to Magnesium Binding Sites List in 3ttz
Magnesium binding site 4 out of 5 in the Crystal Structure of A Topoisomerase Atpase Inhibitor


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of A Topoisomerase Atpase Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg234

b:30.6
occ:1.00
 O B:HOH120 1.9 27.2 1.0
O A:HOH273 2.0 26.5 1.0
O A:HOH244 2.1 23.2 1.0
O B:HOH107 2.2 22.7 1.0
OE1 A:GLU164 4.1 16.6 1.0
O B:LEU60 4.1 12.0 1.0
OE2 A:GLU164 4.2 16.6 1.0
O A:HOH411 4.5 25.1 1.0
O B:HOH259 4.5 11.2 1.0
O B:HOH275 4.5 13.2 1.0
CA B:ALA61 4.6 11.7 1.0
CD A:GLU164 4.6 14.4 1.0
C B:LEU60 4.8 11.2 1.0
N B:ALA61 5.0 11.3 1.0

Magnesium binding site 5 out of 5 in 3ttz

Go back to Magnesium Binding Sites List in 3ttz
Magnesium binding site 5 out of 5 in the Crystal Structure of A Topoisomerase Atpase Inhibitor


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Crystal Structure of A Topoisomerase Atpase Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg235

b:28.1
occ:1.00
 O B:HOH273 2.0 11.3 1.0
O B:HOH352 2.1 19.7 1.0
O B:GLY208 2.1 12.2 1.0
O B:HOH302 2.1 24.9 1.0
O B:HOH314 2.2 14.6 1.0
NE2 B:HIS228 2.4 15.3 1.0
CE1 B:HIS228 3.1 15.4 1.0
C B:GLY208 3.2 11.9 1.0
CD2 B:HIS228 3.6 14.9 1.0
CA B:GLY208 3.8 12.6 1.0
O B:HOH325 4.1 30.5 1.0
O B:HOH236 4.2 14.7 1.0
ND1 B:HIS228 4.3 15.0 1.0
N B:ILE209 4.3 11.3 1.0
O B:ASN65 4.4 10.6 1.0
CG B:HIS228 4.6 13.7 1.0
CA B:ILE209 4.6 10.7 1.0
CB B:ASN65 4.6 11.6 1.0
N B:GLN210 4.6 10.2 1.0
C B:ILE209 4.9 10.4 1.0

Reference:

B.A.Sherer, K.Hull, O.Green, G.Basarab, S.Hauck, P.Hill, J.T.Loch, G.Mullen, S.Bist, J.Bryant, A.Boriack-Sjodin, J.Read, N.Degrace, M.Uria-Nickelsen, R.N.Illingworth, A.E.Eakin. Pyrrolamide Dna Gyrase Inhibitors: Optimization of Antibacterial Activity and Efficacy. Bioorg.Med.Chem.Lett. V. 21 7416 2011.
ISSN: ISSN 0960-894X
PubMed: 22041057
DOI: 10.1016/J.BMCL.2011.10.010
Page generated: Thu Aug 15 12:13:00 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