Atomistry » Magnesium » PDB 7n4e-7ni6 » 7n8l
Atomistry »
  Magnesium »
    PDB 7n4e-7ni6 »
      7n8l »

Magnesium in PDB 7n8l: Pptt Pap(Coa) 9016 Complex

Enzymatic activity of Pptt Pap(Coa) 9016 Complex

All present enzymatic activity of Pptt Pap(Coa) 9016 Complex:
2.7.8.7;

Protein crystallography data

The structure of Pptt Pap(Coa) 9016 Complex, PDB code: 7n8l was solved by J.W.Mosior, J.C.Sacchettini, Tb Structural Genomics Consortium (Tbsgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 37.78 / 2.26
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 134.746, 63.474, 79.868, 90, 123.51, 90
R / Rfree (%) 20.9 / 25.2

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Pptt Pap(Coa) 9016 Complex (pdb code 7n8l). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Pptt Pap(Coa) 9016 Complex, PDB code: 7n8l:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 7n8l

Go back to Magnesium Binding Sites List in 7n8l
Magnesium binding site 1 out of 4 in the Pptt Pap(Coa) 9016 Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Pptt Pap(Coa) 9016 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg303

b:28.6
occ:1.00
O A:HOH424 2.0 26.6 1.0
O2A A:COA301 2.0 36.6 1.0
OD1 A:ASP114 2.0 22.4 1.0
O A:HOH406 2.1 19.0 1.0
O A:HOH401 2.1 18.8 1.0
O A:HOH410 2.2 38.3 1.0
P1A A:COA301 3.0 26.2 1.0
CG A:ASP114 3.1 32.4 1.0
O1A A:COA301 3.4 33.2 1.0
OD2 A:ASP114 3.4 23.4 1.0
OE2 A:GLU116 3.5 33.2 1.0
OG1 A:THR92 3.9 26.0 1.0
O3A A:COA301 3.9 27.4 1.0
O A:ALA115 4.0 17.1 1.0
O A:HOH468 4.0 29.9 1.0
O A:HOH415 4.2 30.6 1.0
NZ A:LYS161 4.4 24.4 1.0
CB A:ASP114 4.4 16.2 1.0
CD A:GLU116 4.4 30.4 1.0
O5B A:COA301 4.5 25.4 1.0
CG A:GLU157 4.5 24.0 1.0
CG A:GLU116 4.5 30.1 1.0
OE1 A:GLU157 4.7 28.9 1.0
CB A:GLU157 4.7 16.5 1.0
N A:ALA115 4.7 18.0 1.0
C A:ALA115 4.9 22.7 1.0
CA A:ASP114 4.9 22.3 1.0
CE A:LYS161 5.0 28.4 1.0

Magnesium binding site 2 out of 4 in 7n8l

Go back to Magnesium Binding Sites List in 7n8l
Magnesium binding site 2 out of 4 in the Pptt Pap(Coa) 9016 Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Pptt Pap(Coa) 9016 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg304

b:25.1
occ:0.83
ND1 A:HIS93 1.9 26.2 1.0
O3A A:COA301 1.9 27.4 1.0
O A:HOH426 2.0 28.7 1.0
O A:HOH458 2.1 36.3 1.0
O A:HIS93 2.1 25.2 1.0
O A:HOH415 2.2 30.6 1.0
CE1 A:HIS93 2.5 29.2 1.0
CG A:HIS93 3.1 26.6 1.0
C A:HIS93 3.2 27.0 1.0
P1A A:COA301 3.2 26.2 1.0
N A:HIS93 3.6 23.2 1.0
O1A A:COA301 3.7 33.2 1.0
CA A:HIS93 3.7 19.2 1.0
NE2 A:HIS93 3.8 27.7 1.0
CB A:HIS93 3.8 21.0 1.0
CD2 A:HIS93 4.0 25.6 1.0
O5B A:COA301 4.1 25.4 1.0
C5B A:COA301 4.3 28.1 1.0
OE2 A:GLU51 4.3 28.3 1.0
OE1 A:GLU51 4.4 32.5 1.0
N A:CYS94 4.4 18.6 1.0
O2A A:COA301 4.4 36.6 1.0
CD A:GLU51 4.5 38.8 1.0
O A:HOH401 4.5 18.8 1.0
O A:HOH406 4.5 19.0 1.0
CA A:CYS94 4.8 19.1 1.0
C A:THR92 4.8 21.6 1.0

Magnesium binding site 3 out of 4 in 7n8l

Go back to Magnesium Binding Sites List in 7n8l
Magnesium binding site 3 out of 4 in the Pptt Pap(Coa) 9016 Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Pptt Pap(Coa) 9016 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg303

b:21.8
occ:1.00
O1A B:COA301 2.0 30.6 1.0
O B:HOH410 2.0 20.4 1.0
OD1 B:ASP114 2.1 16.1 1.0
O B:HOH415 2.1 22.6 1.0
O B:HOH417 2.3 22.0 1.0
O B:HOH402 2.3 20.2 1.0
P1A B:COA301 2.8 31.8 1.0
O2A B:COA301 3.1 40.4 1.0
CG B:ASP114 3.2 23.4 1.0
OD2 B:ASP114 3.6 14.3 1.0
O3A B:COA301 3.7 32.7 1.0
OE2 B:GLU116 3.9 27.4 1.0
OG1 B:THR92 3.9 17.0 1.0
O B:HOH481 4.0 35.3 1.0
NZ B:LYS161 4.2 22.8 1.0
CG B:GLU157 4.3 25.0 1.0
O B:ALA115 4.3 10.6 1.0
O5B B:COA301 4.3 25.1 1.0
O B:HOH470 4.4 25.4 1.0
OE1 B:GLU157 4.4 23.8 1.0
CB B:GLU157 4.4 15.9 1.0
CB B:ASP114 4.4 21.2 1.0
CE B:LYS161 4.7 20.7 1.0
CD B:GLU116 4.8 32.2 1.0
CD B:GLU157 4.9 24.1 1.0
N B:ALA115 4.9 17.5 1.0
CG B:GLU116 4.9 28.9 1.0
CA B:ASP114 5.0 19.7 1.0

Magnesium binding site 4 out of 4 in 7n8l

Go back to Magnesium Binding Sites List in 7n8l
Magnesium binding site 4 out of 4 in the Pptt Pap(Coa) 9016 Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Pptt Pap(Coa) 9016 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg304

b:30.6
occ:0.89
O3A B:COA301 1.9 32.7 1.0
O B:HOH403 2.0 29.3 1.0
O B:HIS93 2.0 23.8 1.0
O B:HOH477 2.1 30.0 1.0
O B:HOH470 2.2 25.4 1.0
ND1 B:HIS93 2.5 25.0 1.0
CE1 B:HIS93 3.1 29.5 1.0
C B:HIS93 3.1 26.3 1.0
P1A B:COA301 3.3 31.8 1.0
CG B:HIS93 3.6 30.6 1.0
O2A B:COA301 3.7 40.4 1.0
N B:HIS93 3.8 27.1 1.0
CA B:HIS93 3.9 17.2 1.0
CB B:HIS93 4.1 20.6 1.0
N B:CYS94 4.2 23.2 1.0
O B:HOH415 4.2 22.6 1.0
O5B B:COA301 4.3 25.1 1.0
O B:HOH402 4.3 20.2 1.0
NE2 B:HIS93 4.4 32.4 1.0
O1A B:COA301 4.4 30.6 1.0
OE2 B:GLU51 4.4 29.0 1.0
C5B B:COA301 4.5 33.6 1.0
CA B:CYS94 4.5 15.4 1.0
CD2 B:HIS93 4.6 29.2 1.0
OE1 B:GLU51 4.7 34.3 1.0
CD B:GLU51 4.8 29.0 1.0
C B:THR92 5.0 22.1 1.0

Reference:

S.Ottavi, S.M.Scarry, J.Mosior, Y.Ling, J.Roberts, A.Singh, D.Zhang, L.Goullieux, C.Roubert, E.Bacque, H.R.Lagiakos, J.Vendome, F.Moraca, K.Li, A.J.Perkowski, R.Ramesh, M.M.Bowler, W.Tracy, V.A.Feher, J.C.Sacchettini, B.S.Gold, C.F.Nathan, J.Aube. In Vitro and in Vivo Inhibition of the Mycobacterium Tuberculosis Phosphopantetheinyl Transferase Pptt By Amidinoureas. J.Med.Chem. V. 65 1996 2022.
ISSN: ISSN 0022-2623
PubMed: 35044775
DOI: 10.1021/ACS.JMEDCHEM.1C01565
Page generated: Thu Oct 3 01:16:02 2024

Last articles

Sr in 1SFC
Sr in 1OQ7
Sr in 1U3E
Sr in 1VC0
Sr in 1F1T
Sr in 1J8G
Sr in 1NVY
Sr in 1TJM
Sr in 1NUV
Sr in 1M6G
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy