Atomistry » Magnesium » PDB 7mz2-7nb8 » 7n8e
Atomistry »
  Magnesium »
    PDB 7mz2-7nb8 »
      7n8e »

Magnesium in PDB 7n8e: Pptt Pap(Coa) 9056 Complex

Enzymatic activity of Pptt Pap(Coa) 9056 Complex

All present enzymatic activity of Pptt Pap(Coa) 9056 Complex:
2.7.8.7;

Protein crystallography data

The structure of Pptt Pap(Coa) 9056 Complex, PDB code: 7n8e 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) 67.12 / 1.74
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 134.692, 63.283, 81.228, 90, 124.27, 90
R / Rfree (%) 20.5 / 24.2

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Pptt Pap(Coa) 9056 Complex (pdb code 7n8e). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 6 binding sites of Magnesium where determined in the Pptt Pap(Coa) 9056 Complex, PDB code: 7n8e:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6;

Magnesium binding site 1 out of 6 in 7n8e

Go back to Magnesium Binding Sites List in 7n8e
Magnesium binding site 1 out of 6 in the Pptt Pap(Coa) 9056 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) 9056 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg302

b:14.6
occ:1.00
 OD1 A:ASP114 2.0 14.4 1.0
O2A A:COA301 2.0 16.9 1.0
O A:HOH409 2.1 17.5 1.0
O A:HOH441 2.1 14.6 1.0
O A:HOH418 2.1 17.1 1.0
O A:HOH414 2.2 18.4 1.0
CG A:ASP114 3.0 13.9 1.0
P1A A:COA301 3.0 15.0 1.0
O1A A:COA301 3.3 25.6 1.0
OD2 A:ASP114 3.4 14.3 1.0
O3A A:COA301 3.9 15.0 1.0
OE2 A:GLU116 3.9 27.4 1.0
OG1 A:THR92 4.0 13.2 1.0
NZ A:LYS161 4.0 15.1 1.0
O A:HOH456 4.2 17.4 1.0
O A:ALA115 4.2 13.7 1.0
CB A:ASP114 4.3 8.1 1.0
O5B A:COA301 4.4 15.4 1.0
CB A:GLU157 4.5 11.4 1.0
CG A:GLU157 4.5 10.9 1.0
CE A:LYS161 4.5 10.7 1.0
OE1 A:GLU157 4.6 21.8 1.0
N A:ALA115 4.8 9.0 1.0
CA A:ASP114 4.8 8.5 1.0
CD A:GLU116 4.9 20.0 1.0
CG A:GLU116 4.9 20.6 1.0

Magnesium binding site 2 out of 6 in 7n8e

Go back to Magnesium Binding Sites List in 7n8e
Magnesium binding site 2 out of 6 in the Pptt Pap(Coa) 9056 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) 9056 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg303

b:14.4
occ:0.99
 O3A A:COA301 1.9 15.0 1.0
ND1 A:HIS93 2.0 13.1 1.0
O A:HIS93 2.1 16.4 1.0
O A:HOH487 2.1 19.0 1.0
O A:HOH436 2.2 14.9 1.0
O A:HOH456 2.2 17.4 1.0
CE1 A:HIS93 2.7 15.3 1.0
C A:HIS93 3.1 16.0 1.0
CG A:HIS93 3.2 16.1 1.0
P1A A:COA301 3.2 15.0 1.0
O1A A:COA301 3.6 25.6 1.0
N A:HIS93 3.6 10.7 1.0
CA A:HIS93 3.7 10.8 1.0
CB A:HIS93 3.8 11.1 1.0
NE2 A:HIS93 3.9 16.6 1.0
CD2 A:HIS93 4.2 20.9 1.0
N A:CYS94 4.2 13.4 1.0
O A:HOH418 4.2 17.1 1.0
OE2 A:GLU51 4.3 20.0 1.0
O5B A:COA301 4.3 15.4 1.0
O2A A:COA301 4.3 16.9 1.0
C5B A:COA301 4.4 21.1 1.0
O A:HOH414 4.5 18.4 1.0
OE1 A:GLU51 4.6 21.7 1.0
CA A:CYS94 4.6 14.5 1.0
CD A:GLU51 4.7 27.3 1.0
O A:HOH480 4.9 27.2 1.0
C A:THR92 4.9 12.8 1.0

Magnesium binding site 3 out of 6 in 7n8e

Go back to Magnesium Binding Sites List in 7n8e
Magnesium binding site 3 out of 6 in the Pptt Pap(Coa) 9056 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) 9056 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg304

b:23.0
occ:1.00
 O A:HOH464 2.0 25.2 1.0
O A:HOH435 2.0 25.6 1.0
O A:HOH454 2.2 23.4 1.0
O A:HOH528 3.4 41.8 1.0
OD1 A:ASP119 4.0 24.4 1.0
O A:HOH523 4.1 39.6 1.0
O A:HOH433 4.1 31.8 1.0
O A:HOH474 4.2 31.6 1.0
O A:HOH429 4.2 17.7 1.0
OD2 A:ASP119 4.2 18.7 1.0
O A:GLY219 4.3 15.4 1.0
CG A:ASP119 4.5 24.6 1.0
CB A:PRO117 4.6 18.0 1.0
CA A:GLY219 4.9 15.5 1.0

Magnesium binding site 4 out of 6 in 7n8e

Go back to Magnesium Binding Sites List in 7n8e
Magnesium binding site 4 out of 6 in the Pptt Pap(Coa) 9056 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) 9056 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg302

b:12.6
occ:1.00
 OD1 B:ASP114 1.9 12.4 1.0
O1A B:COA301 2.0 13.9 1.0
O B:HOH411 2.1 17.1 1.0
O B:HOH441 2.1 13.3 1.0
O B:HOH413 2.2 13.5 1.0
O B:HOH402 2.2 17.0 1.0
CG B:ASP114 2.9 12.8 1.0
P1A B:COA301 3.0 14.3 1.0
O2A B:COA301 3.3 24.2 1.0
OD2 B:ASP114 3.3 13.1 1.0
O B:HOH522 3.7 29.7 1.0
O3A B:COA301 3.9 14.2 1.0
OG1 B:THR92 3.9 12.8 1.0
OE2 B:GLU116 4.0 21.8 1.0
NZ B:LYS161 4.0 10.2 1.0
O B:ALA115 4.3 13.0 1.0
O B:HOH475 4.3 14.5 1.0
CB B:ASP114 4.3 9.3 1.0
O5B B:COA301 4.3 14.5 1.0
CG B:GLU157 4.4 11.1 1.0
O B:HOH517 4.5 36.0 1.0
CB B:GLU157 4.5 9.2 1.0
CE B:LYS161 4.6 12.8 1.0
OE1 B:GLU157 4.6 18.9 1.0
N B:ALA115 4.8 9.0 1.0
CA B:ASP114 4.8 8.1 1.0
CD B:GLU116 4.9 20.9 1.0
CG B:GLU116 5.0 16.4 1.0

Magnesium binding site 5 out of 6 in 7n8e

Go back to Magnesium Binding Sites List in 7n8e
Magnesium binding site 5 out of 6 in the Pptt Pap(Coa) 9056 Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Pptt Pap(Coa) 9056 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg303

b:14.1
occ:1.00
 O3A B:COA301 1.9 14.2 1.0
ND1 B:HIS93 2.0 14.3 1.0
O B:HOH503 2.1 18.2 1.0
O B:HIS93 2.1 13.2 1.0
O B:HOH422 2.1 16.6 1.0
O B:HOH475 2.2 14.5 1.0
CE1 B:HIS93 2.8 14.6 1.0
C B:HIS93 3.2 14.7 1.0
CG B:HIS93 3.2 13.3 1.0
P1A B:COA301 3.2 14.3 1.0
O2A B:COA301 3.6 24.2 1.0
N B:HIS93 3.7 11.5 1.0
CA B:HIS93 3.7 11.3 1.0
CB B:HIS93 3.8 13.3 1.0
NE2 B:HIS93 4.0 17.3 1.0
O B:HOH424 4.1 32.1 1.0
OE2 B:GLU51 4.1 19.7 1.0
O B:HOH532 4.2 34.4 1.0
CD2 B:HIS93 4.2 18.5 1.0
O5B B:COA301 4.3 14.5 1.0
N B:CYS94 4.3 11.8 1.0
O1A B:COA301 4.3 13.9 1.0
O B:HOH411 4.4 17.1 1.0
O B:HOH413 4.4 13.5 1.0
C5B B:COA301 4.4 14.9 1.0
OE1 B:GLU51 4.5 20.1 1.0
CD B:GLU51 4.5 22.8 1.0
O B:HOH410 4.6 20.5 1.0
CA B:CYS94 4.7 12.9 1.0
C B:THR92 4.9 14.4 1.0

Magnesium binding site 6 out of 6 in 7n8e

Go back to Magnesium Binding Sites List in 7n8e
Magnesium binding site 6 out of 6 in the Pptt Pap(Coa) 9056 Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Pptt Pap(Coa) 9056 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg304

b:22.3
occ:1.00
 O B:HOH420 1.9 26.4 1.0
O B:HOH450 2.1 18.0 1.0
O B:HOH417 2.1 22.1 1.0
O B:HOH527 3.9 41.2 1.0
O B:HOH531 4.0 30.4 1.0
O B:HOH452 4.1 29.9 1.0
OD1 B:ASP119 4.1 24.9 1.0
O B:GLY219 4.2 15.8 1.0
OD2 B:ASP119 4.2 18.6 1.0
O B:HOH449 4.3 18.8 1.0
CG B:ASP119 4.6 23.9 1.0
CB B:PRO117 4.6 17.0 1.0
CA B:GLY219 4.9 13.9 1.0
C B:GLY219 5.0 16.0 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 01:15:41 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy