Atomistry » Chlorine » PDB 4n98-4ngp » 4nat
Atomistry »
  Chlorine »
    PDB 4n98-4ngp »
      4nat »

Chlorine in PDB 4nat: Inhibitors of 4-Phosphopanthetheine Adenylyltransferase

Enzymatic activity of Inhibitors of 4-Phosphopanthetheine Adenylyltransferase

All present enzymatic activity of Inhibitors of 4-Phosphopanthetheine Adenylyltransferase:
2.7.7.3;

Protein crystallography data

The structure of Inhibitors of 4-Phosphopanthetheine Adenylyltransferase, PDB code: 4nat was solved by S.D.Lahiri, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 24.90 / 1.72
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 76.157, 127.283, 126.950, 90.00, 90.00, 90.00
R / Rfree (%) 22.7 / 27.7

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Inhibitors of 4-Phosphopanthetheine Adenylyltransferase (pdb code 4nat). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Inhibitors of 4-Phosphopanthetheine Adenylyltransferase, PDB code: 4nat:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 4nat

Go back to Chlorine Binding Sites List in 4nat
Chlorine binding site 1 out of 6 in the Inhibitors of 4-Phosphopanthetheine Adenylyltransferase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Inhibitors of 4-Phosphopanthetheine Adenylyltransferase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:44.8
occ:1.00
 CL7 A:2W5201 0.0 44.8 1.0
C26 A:2W5201 1.7 40.9 1.0
C28 A:2W5201 2.7 40.1 1.0
C25 A:2W5201 2.7 36.9 1.0
CL9 A:2W5201 3.1 50.0 1.0
O A:CYS36 3.1 27.6 1.0
CB A:PRO9 3.5 23.0 1.0
C A:CYS36 3.6 29.2 1.0
C30 A:2W5201 3.9 39.5 1.0
CB A:CYS36 3.9 31.9 0.5
N A:GLY10 4.0 22.7 1.0
CD1 A:LEU38 4.0 40.6 1.0
C24 A:2W5201 4.0 33.6 1.0
N A:VAL37 4.0 30.4 1.0
CA A:PRO9 4.0 22.1 1.0
C A:VAL37 4.1 39.6 1.0
CB A:CYS36 4.2 28.6 0.5
SG A:CYS36 4.2 30.1 0.5
CA A:VAL37 4.2 34.6 1.0
O A:GLY10 4.3 23.3 1.0
O A:VAL37 4.3 42.0 1.0
N A:LEU38 4.4 50.0 1.0
C23 A:2W5201 4.4 34.4 1.0
CA A:CYS36 4.4 27.9 0.5
CD1 A:LEU75 4.5 26.8 1.0
CA A:CYS36 4.5 26.4 0.5
C A:PRO9 4.5 23.2 1.0
CA A:GLY10 4.9 25.0 1.0
C A:GLY10 4.9 26.1 1.0
CG A:PRO9 5.0 21.5 1.0

Chlorine binding site 2 out of 6 in 4nat

Go back to Chlorine Binding Sites List in 4nat
Chlorine binding site 2 out of 6 in the Inhibitors of 4-Phosphopanthetheine Adenylyltransferase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Inhibitors of 4-Phosphopanthetheine Adenylyltransferase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:50.0
occ:1.00
 CL9 A:2W5201 0.0 50.0 1.0
C28 A:2W5201 1.7 40.1 1.0
C30 A:2W5201 2.7 39.5 1.0
C26 A:2W5201 2.7 40.9 1.0
CL7 A:2W5201 3.1 44.8 1.0
SG A:CYS36 3.4 30.1 0.5
CB A:PHE71 3.6 39.1 1.0
C23 A:2W5201 4.0 34.4 1.0
C25 A:2W5201 4.0 36.9 1.0
CD1 A:LEU75 4.1 26.8 1.0
CD2 A:PHE71 4.2 40.9 1.0
CA A:LEU75 4.3 24.0 1.0
O A:PHE71 4.4 34.6 1.0
CG A:PHE71 4.4 39.1 1.0
O A:GLY73 4.4 29.8 1.0
O A:VAL37 4.5 42.0 1.0
CB A:CYS36 4.5 31.9 0.5
CA A:PHE71 4.5 37.9 1.0
C24 A:2W5201 4.5 33.6 1.0
N A:LEU75 4.5 24.8 1.0
CB A:CYS36 4.6 28.6 0.5
CB A:LEU75 4.6 25.0 1.0
N A:PHE71 4.6 36.4 1.0
C A:PHE71 4.7 35.8 1.0
CB A:TYR78 4.7 29.0 1.0
C A:LEU74 5.0 31.3 1.0

Chlorine binding site 3 out of 6 in 4nat

Go back to Chlorine Binding Sites List in 4nat
Chlorine binding site 3 out of 6 in the Inhibitors of 4-Phosphopanthetheine Adenylyltransferase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Inhibitors of 4-Phosphopanthetheine Adenylyltransferase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl201

b:50.0
occ:1.00
 CL7 B:2W5201 0.0 50.0 1.0
C26 B:2W5201 1.7 50.0 1.0
C25 B:2W5201 2.6 50.0 1.0
C28 B:2W5201 2.8 50.0 1.0
CL9 B:2W5201 2.9 50.0 1.0
SG B:CYS36 3.2 46.2 1.0
CB B:PHE71 3.6 45.0 1.0
O B:PHE71 3.7 50.0 1.0
C24 B:2W5201 3.9 50.0 1.0
C30 B:2W5201 4.1 47.7 1.0
CD1 B:LEU75 4.2 30.2 1.0
O B:VAL37 4.2 41.6 1.0
C B:PHE71 4.2 42.2 1.0
CD2 B:PHE71 4.3 45.6 1.0
CA B:PHE71 4.4 42.6 1.0
CG B:PHE71 4.4 40.7 1.0
CB B:CYS36 4.4 32.6 1.0
CA B:LEU75 4.5 27.5 1.0
C23 B:2W5201 4.5 49.1 1.0
C B:VAL37 4.6 37.9 1.0
O B:GLY73 4.6 35.1 1.0
CA B:LEU38 4.6 50.0 1.0
N B:PHE71 4.7 39.5 1.0
CB B:LEU75 4.7 26.3 1.0
N B:LEU75 4.8 24.8 1.0
CB B:TYR78 4.8 32.2 1.0
N B:LEU38 4.8 45.2 1.0
C B:CYS36 4.8 30.4 1.0
N B:VAL37 4.9 29.6 1.0

Chlorine binding site 4 out of 6 in 4nat

Go back to Chlorine Binding Sites List in 4nat
Chlorine binding site 4 out of 6 in the Inhibitors of 4-Phosphopanthetheine Adenylyltransferase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Inhibitors of 4-Phosphopanthetheine Adenylyltransferase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl201

b:50.0
occ:1.00
 CL9 B:2W5201 0.0 50.0 1.0
C28 B:2W5201 1.8 50.0 1.0
C26 B:2W5201 2.5 50.0 1.0
CL7 B:2W5201 2.9 50.0 1.0
C30 B:2W5201 3.0 47.7 1.0
CB B:PRO9 3.5 24.0 1.0
O B:CYS36 3.5 26.6 1.0
C25 B:2W5201 3.9 50.0 1.0
N B:GLY10 4.0 26.1 1.0
C B:CYS36 4.0 30.4 1.0
CG B:LEU38 4.0 50.0 1.0
CA B:PRO9 4.1 21.9 1.0
N B:LEU38 4.1 45.2 1.0
C23 B:2W5201 4.2 49.1 1.0
C B:VAL37 4.2 37.9 1.0
CD1 B:LEU75 4.3 30.2 1.0
SG B:CYS36 4.4 46.2 1.0
CA B:LEU38 4.4 50.0 1.0
O B:GLY10 4.4 25.9 1.0
N B:VAL37 4.4 29.6 1.0
C B:PRO9 4.5 26.0 1.0
C24 B:2W5201 4.5 50.0 1.0
CB B:LEU38 4.5 50.0 1.0
CA B:VAL37 4.5 34.8 1.0
CB B:CYS36 4.5 32.6 1.0
CD1 B:LEU38 4.6 50.0 1.0
O B:VAL37 4.6 41.6 1.0
CA B:CYS36 4.9 29.5 1.0
CG B:PRO9 4.9 23.9 1.0
CA B:GLY10 4.9 25.8 1.0
C B:GLY10 5.0 26.1 1.0

Chlorine binding site 5 out of 6 in 4nat

Go back to Chlorine Binding Sites List in 4nat
Chlorine binding site 5 out of 6 in the Inhibitors of 4-Phosphopanthetheine Adenylyltransferase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Inhibitors of 4-Phosphopanthetheine Adenylyltransferase within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl201

b:46.3
occ:1.00
 CL7 C:2W5201 0.0 46.3 1.0
C26 C:2W5201 1.8 41.9 1.0
C28 C:2W5201 2.7 45.3 1.0
C25 C:2W5201 2.7 39.1 1.0
O C:CYS36 3.0 29.7 1.0
CL9 C:2W5201 3.1 50.0 1.0
C C:CYS36 3.5 31.4 1.0
N C:LEU38 3.6 41.7 1.0
CB C:PRO9 3.7 25.9 1.0
CA C:VAL37 3.7 38.0 1.0
C C:VAL37 3.7 38.7 1.0
N C:VAL37 3.8 35.6 1.0
N C:GLY10 3.9 28.0 1.0
CA C:PRO9 4.0 23.4 1.0
C24 C:2W5201 4.0 35.8 1.0
C30 C:2W5201 4.0 39.6 1.0
CB C:CYS36 4.1 34.4 0.5
CB C:CYS36 4.1 29.0 0.5
SG C:CYS36 4.2 30.4 0.5
O C:GLY10 4.2 29.7 1.0
CA C:LEU38 4.3 42.5 1.0
O C:VAL37 4.4 39.4 1.0
C C:PRO9 4.4 23.8 1.0
CA C:CYS36 4.5 28.9 0.5
CA C:CYS36 4.5 31.4 0.5
C23 C:2W5201 4.5 36.6 1.0
CB C:LEU38 4.6 43.5 1.0
CD1 C:LEU75 4.7 28.6 1.0
C C:GLY10 4.9 28.8 1.0
CA C:GLY10 4.9 32.0 1.0

Chlorine binding site 6 out of 6 in 4nat

Go back to Chlorine Binding Sites List in 4nat
Chlorine binding site 6 out of 6 in the Inhibitors of 4-Phosphopanthetheine Adenylyltransferase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Inhibitors of 4-Phosphopanthetheine Adenylyltransferase within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl201

b:50.0
occ:1.00
 CL9 C:2W5201 0.0 50.0 1.0
C28 C:2W5201 1.7 45.3 1.0
C26 C:2W5201 2.7 41.9 1.0
C30 C:2W5201 2.7 39.6 1.0
CL7 C:2W5201 3.1 46.3 1.0
SG C:CYS36 3.4 30.4 0.5
CB C:PHE71 3.9 32.7 1.0
C25 C:2W5201 4.0 39.1 1.0
C23 C:2W5201 4.0 36.6 1.0
CD2 C:PHE71 4.1 37.4 1.0
CD1 C:LEU75 4.1 28.6 1.0
CA C:LEU75 4.2 22.9 1.0
O C:PHE71 4.4 35.0 1.0
O C:GLY73 4.4 29.8 1.0
CG C:PHE71 4.4 37.5 1.0
CB C:LEU75 4.5 23.6 1.0
N C:LEU75 4.5 22.2 1.0
CB C:TYR78 4.5 28.9 1.0
O C:VAL37 4.5 39.4 1.0
C24 C:2W5201 4.5 35.8 1.0
CB C:CYS36 4.5 29.0 0.5
CA C:LEU38 4.6 42.5 1.0
CB C:CYS36 4.6 34.4 0.5
N C:LEU38 4.7 41.7 1.0
C C:VAL37 4.7 38.7 1.0
C C:PHE71 4.8 34.2 1.0
CA C:PHE71 4.8 34.4 1.0
CD1 C:LEU38 4.8 47.1 1.0
C C:LEU74 4.9 26.2 1.0
CG C:LEU75 4.9 27.9 1.0
CG C:TYR78 4.9 31.1 1.0
CB C:LEU38 5.0 43.5 1.0
N C:PHE71 5.0 36.9 1.0

Reference:

B.L.De Jonge, G.K.Walkup, S.D.Lahiri, H.Huynh, G.Neckermann, L.Utley, T.J.Nash, J.Brock, M.San Martin, A.Kutschke, M.Johnstone, V.Laganas, L.Hajec, R.F.Gu, H.Ni, B.Chen, K.Hutchings, E.Holt, D.Mckinney, N.Gao, S.Livchak, J.Thresher. Discovery of Inhibitors of 4'-Phosphopantetheine Adenylyltransferase (Ppat) to Validate Ppat As A Target For Antibacterial Therapy. Antimicrob.Agents Chemother. V. 57 6005 2013.
ISSN: ISSN 0066-4804
PubMed: 24041904
DOI: 10.1128/AAC.01661-13
Page generated: Sat Dec 12 10:58:16 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy