Atomistry » Chlorine » PDB 4air-4aqa » 4alj
Atomistry »
  Chlorine »
    PDB 4air-4aqa »
      4alj »

Chlorine in PDB 4alj: Crystal Structure of S. Aureus Fabi in Complex with Nadp and 5-Chloro-2-Phenoxyphenol

Enzymatic activity of Crystal Structure of S. Aureus Fabi in Complex with Nadp and 5-Chloro-2-Phenoxyphenol

All present enzymatic activity of Crystal Structure of S. Aureus Fabi in Complex with Nadp and 5-Chloro-2-Phenoxyphenol:
1.3.1.10;

Protein crystallography data

The structure of Crystal Structure of S. Aureus Fabi in Complex with Nadp and 5-Chloro-2-Phenoxyphenol, PDB code: 4alj was solved by J.Schiebel, A.Chang, P.J.Tonge, C.Kisker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.11 / 2.20
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 90.240, 94.756, 94.803, 97.95, 112.35, 97.36
R / Rfree (%) 15.782 / 21.932

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of S. Aureus Fabi in Complex with Nadp and 5-Chloro-2-Phenoxyphenol (pdb code 4alj). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Crystal Structure of S. Aureus Fabi in Complex with Nadp and 5-Chloro-2-Phenoxyphenol, PDB code: 4alj:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 4alj

Go back to Chlorine Binding Sites List in 4alj
Chlorine binding site 1 out of 8 in the Crystal Structure of S. Aureus Fabi in Complex with Nadp and 5-Chloro-2-Phenoxyphenol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of S. Aureus Fabi in Complex with Nadp and 5-Chloro-2-Phenoxyphenol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1258

b:43.8
occ:1.00
CL1 A:CH81258 0.0 43.8 1.0
CAL A:CH81258 1.7 43.7 1.0
CAJ A:CH81258 2.6 38.5 1.0
CAH A:CH81258 2.7 35.6 1.0
CZ A:TYR147 3.6 37.0 1.0
O7N A:NAP400 3.6 40.3 1.0
CE1 A:TYR147 3.7 29.4 1.0
CE1 A:PHE204 3.7 34.3 1.0
CE2 A:TYR147 3.9 34.0 1.0
CAM A:CH81258 3.9 38.1 1.0
OH A:TYR147 4.0 34.1 1.0
CAI A:CH81258 4.0 35.3 1.0
CD1 A:TYR147 4.1 33.6 1.0
CD1 A:PHE204 4.1 34.4 1.0
CB A:PRO192 4.2 34.9 1.0
CA A:PRO192 4.2 34.2 1.0
C4N A:NAP400 4.2 32.5 1.0
CD2 A:TYR147 4.3 29.9 1.0
C7N A:NAP400 4.3 35.5 1.0
CG A:TYR147 4.4 28.4 1.0
CAO A:CH81258 4.5 37.5 1.0
C3N A:NAP400 4.5 40.7 1.0
CD1 A:ILE207 4.8 55.9 1.0
CE1 A:TYR157 4.8 35.4 1.0
CG1 A:VAL201 4.8 38.2 1.0
CG2 A:VAL201 4.8 44.3 1.0
CZ A:PHE204 4.9 32.4 1.0
OAA A:CH81258 4.9 37.9 1.0
N A:PRO192 4.9 35.3 1.0

Chlorine binding site 2 out of 8 in 4alj

Go back to Chlorine Binding Sites List in 4alj
Chlorine binding site 2 out of 8 in the Crystal Structure of S. Aureus Fabi in Complex with Nadp and 5-Chloro-2-Phenoxyphenol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of S. Aureus Fabi in Complex with Nadp and 5-Chloro-2-Phenoxyphenol within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1258

b:45.6
occ:1.00
CL1 B:CH81258 0.0 45.6 1.0
CAL B:CH81258 1.7 39.0 1.0
CAJ B:CH81258 2.7 40.2 1.0
CAH B:CH81258 2.7 35.7 1.0
O7N B:NAP400 3.4 46.2 1.0
CZ B:TYR147 3.7 46.8 1.0
CE2 B:TYR147 3.8 41.5 1.0
CE1 B:PHE204 3.8 46.7 1.0
CE1 B:TYR147 3.9 44.6 1.0
CAM B:CH81258 4.0 44.1 1.0
CAI B:CH81258 4.0 38.8 1.0
OH B:TYR147 4.1 44.8 1.0
CD2 B:TYR147 4.1 41.2 1.0
CD1 B:PHE204 4.1 49.1 1.0
CD1 B:TYR147 4.2 44.6 1.0
C4N B:NAP400 4.2 37.2 1.0
CA B:PRO192 4.2 44.1 1.0
CB B:PRO192 4.2 45.8 1.0
C7N B:NAP400 4.3 42.9 1.0
CG B:TYR147 4.4 42.0 1.0
CAO B:CH81258 4.5 38.2 1.0
C3N B:NAP400 4.5 43.1 1.0
N B:PRO192 4.9 43.4 1.0
CE1 B:TYR157 4.9 35.1 1.0
CG2 B:VAL201 4.9 43.6 1.0
CG1 B:VAL201 5.0 44.2 1.0
CZ B:PHE204 5.0 47.8 1.0
C5N B:NAP400 5.0 38.9 1.0

Chlorine binding site 3 out of 8 in 4alj

Go back to Chlorine Binding Sites List in 4alj
Chlorine binding site 3 out of 8 in the Crystal Structure of S. Aureus Fabi in Complex with Nadp and 5-Chloro-2-Phenoxyphenol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of S. Aureus Fabi in Complex with Nadp and 5-Chloro-2-Phenoxyphenol within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1258

b:45.1
occ:1.00
CL1 C:CH81258 0.0 45.1 1.0
CAL C:CH81258 1.7 38.9 1.0
CAH C:CH81258 2.7 31.5 1.0
CAJ C:CH81258 2.7 45.6 1.0
O7N C:NAP400 3.4 48.2 1.0
CZ C:TYR147 3.7 38.8 1.0
CE1 C:TYR147 3.8 35.8 1.0
CE1 C:PHE204 3.8 34.5 1.0
OH C:TYR147 3.9 37.2 1.0
CAI C:CH81258 4.0 37.9 1.0
CAM C:CH81258 4.0 46.2 1.0
CE2 C:TYR147 4.0 36.5 1.0
CD1 C:PHE204 4.1 40.1 1.0
CD1 C:TYR147 4.2 32.7 1.0
CB C:PRO192 4.2 41.5 1.0
CA C:PRO192 4.3 39.4 1.0
C7N C:NAP400 4.3 39.7 1.0
C4N C:NAP400 4.3 34.5 1.0
CD2 C:TYR147 4.4 35.0 1.0
CAO C:CH81258 4.5 44.1 1.0
CG C:TYR147 4.5 37.8 1.0
CD1 C:ILE207 4.5 41.6 1.0
C3N C:NAP400 4.6 40.6 1.0
CG2 C:ILE207 4.7 45.4 1.0
CE1 C:TYR157 4.8 35.2 1.0
N C:PRO192 5.0 39.5 1.0
CG1 C:VAL201 5.0 36.4 1.0

Chlorine binding site 4 out of 8 in 4alj

Go back to Chlorine Binding Sites List in 4alj
Chlorine binding site 4 out of 8 in the Crystal Structure of S. Aureus Fabi in Complex with Nadp and 5-Chloro-2-Phenoxyphenol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of S. Aureus Fabi in Complex with Nadp and 5-Chloro-2-Phenoxyphenol within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1257

b:51.5
occ:1.00
CL1 D:CH81257 0.0 51.5 1.0
CAL D:CH81257 1.7 47.8 1.0
CAH D:CH81257 2.7 49.2 1.0
CAJ D:CH81257 2.7 46.8 1.0
CZ D:TYR147 3.7 52.8 1.0
CE1 D:TYR147 3.7 47.1 1.0
O7N D:NAP400 3.7 47.4 1.0
CE1 D:PHE204 3.9 50.6 1.0
CAI D:CH81257 3.9 49.5 1.0
CE2 D:TYR147 3.9 45.8 1.0
CAM D:CH81257 4.0 46.8 1.0
CD1 D:TYR147 4.0 47.4 1.0
OH D:TYR147 4.1 53.4 1.0
C4N D:NAP400 4.1 43.6 1.0
CD1 D:PHE204 4.1 53.0 1.0
CB D:PRO192 4.2 48.2 1.0
CD2 D:TYR147 4.2 43.4 1.0
CG D:TYR147 4.3 43.1 1.0
CA D:PRO192 4.3 45.7 1.0
C3N D:NAP400 4.4 48.5 1.0
C7N D:NAP400 4.4 47.3 1.0
CAO D:CH81257 4.4 46.7 1.0
CE1 D:TYR157 4.8 40.0 1.0
CD1 D:ILE207 4.8 61.0 1.0
C5N D:NAP400 4.9 42.7 1.0
CG2 D:VAL201 5.0 50.5 1.0

Chlorine binding site 5 out of 8 in 4alj

Go back to Chlorine Binding Sites List in 4alj
Chlorine binding site 5 out of 8 in the Crystal Structure of S. Aureus Fabi in Complex with Nadp and 5-Chloro-2-Phenoxyphenol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of S. Aureus Fabi in Complex with Nadp and 5-Chloro-2-Phenoxyphenol within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl1259

b:42.0
occ:1.00
CL1 E:CH81259 0.0 42.0 1.0
CAL E:CH81259 1.7 39.6 1.0
CAJ E:CH81259 2.7 38.2 1.0
CAH E:CH81259 2.7 39.9 1.0
CZ E:TYR147 3.5 37.6 1.0
O7N E:NAP400 3.6 41.1 1.0
CE1 E:TYR147 3.7 25.6 1.0
CE1 E:PHE204 3.7 38.9 1.0
CE2 E:TYR147 3.7 29.3 1.0
CAM E:CH81259 3.9 37.3 1.0
CAI E:CH81259 4.0 38.2 1.0
OH E:TYR147 4.0 32.1 1.0
CD1 E:TYR147 4.0 31.3 1.0
CD1 E:PHE204 4.1 39.3 1.0
C4N E:NAP400 4.2 31.2 1.0
CD2 E:TYR147 4.2 30.6 1.0
CA E:PRO192 4.2 38.4 1.0
CG E:TYR147 4.3 30.2 1.0
CB E:PRO192 4.3 39.5 1.0
C7N E:NAP400 4.3 35.1 1.0
CAO E:CH81259 4.4 35.1 1.0
C3N E:NAP400 4.5 37.6 1.0
CZ E:PHE204 4.8 32.8 1.0
CD1 E:ILE207 4.8 49.0 1.0
CG2 E:VAL201 4.8 39.0 1.0
CG1 E:VAL201 4.9 38.6 1.0
N E:PRO192 4.9 38.7 1.0
CE1 E:TYR157 4.9 37.2 1.0
C5N E:NAP400 4.9 30.3 1.0

Chlorine binding site 6 out of 8 in 4alj

Go back to Chlorine Binding Sites List in 4alj
Chlorine binding site 6 out of 8 in the Crystal Structure of S. Aureus Fabi in Complex with Nadp and 5-Chloro-2-Phenoxyphenol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of S. Aureus Fabi in Complex with Nadp and 5-Chloro-2-Phenoxyphenol within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl1258

b:43.7
occ:1.00
CL1 F:CH81258 0.0 43.7 1.0
CAL F:CH81258 1.7 43.2 1.0
CAH F:CH81258 2.7 41.0 1.0
CAJ F:CH81258 2.7 41.4 1.0
O7N F:NAP400 3.6 42.1 1.0
CZ F:TYR147 3.6 45.9 1.0
CE1 F:PHE204 3.8 42.6 1.0
CE1 F:TYR147 3.8 40.3 1.0
CE2 F:TYR147 3.9 41.4 1.0
CAI F:CH81258 4.0 40.9 1.0
OH F:TYR147 4.0 44.6 1.0
CAM F:CH81258 4.0 43.1 1.0
CD1 F:PHE204 4.2 47.2 1.0
C4N F:NAP400 4.2 35.7 1.0
CB F:PRO192 4.2 47.7 1.0
CD2 F:TYR147 4.2 39.2 1.0
CD1 F:TYR147 4.2 41.5 1.0
CA F:PRO192 4.3 45.0 1.0
C7N F:NAP400 4.3 39.8 1.0
CG F:TYR147 4.4 38.9 1.0
C3N F:NAP400 4.5 36.6 1.0
CAO F:CH81258 4.5 39.2 1.0
CG1 F:VAL201 4.8 46.4 1.0
CG2 F:VAL201 4.9 48.7 1.0
N F:PRO192 4.9 42.8 1.0
CD1 F:ILE207 4.9 49.2 1.0
CE1 F:TYR157 4.9 40.1 1.0
CZ F:PHE204 5.0 46.3 1.0

Chlorine binding site 7 out of 8 in 4alj

Go back to Chlorine Binding Sites List in 4alj
Chlorine binding site 7 out of 8 in the Crystal Structure of S. Aureus Fabi in Complex with Nadp and 5-Chloro-2-Phenoxyphenol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of S. Aureus Fabi in Complex with Nadp and 5-Chloro-2-Phenoxyphenol within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl1258

b:43.9
occ:1.00
CL1 G:CH81258 0.0 43.9 1.0
CAL G:CH81258 1.7 41.0 1.0
CAH G:CH81258 2.7 34.3 1.0
CAJ G:CH81258 2.7 45.5 1.0
CZ G:TYR147 3.5 38.9 1.0
O7N G:NAP400 3.7 42.6 1.0
CE1 G:TYR147 3.8 40.6 1.0
CE1 G:PHE204 3.8 37.2 1.0
CE2 G:TYR147 3.8 37.4 1.0
OH G:TYR147 3.8 40.0 1.0
CAI G:CH81258 4.0 41.8 1.0
CAM G:CH81258 4.0 45.1 1.0
CD1 G:PHE204 4.0 38.4 1.0
CD1 G:TYR147 4.2 40.5 1.0
CA G:PRO192 4.3 38.9 1.0
CB G:PRO192 4.3 40.9 1.0
CD2 G:TYR147 4.3 38.6 1.0
C4N G:NAP400 4.4 35.5 1.0
CG G:TYR147 4.5 38.8 1.0
CAO G:CH81258 4.5 44.5 1.0
CD1 G:ILE207 4.6 46.8 1.0
C7N G:NAP400 4.6 38.5 1.0
CE1 G:TYR157 4.8 31.4 1.0
C3N G:NAP400 4.8 38.1 1.0
CG1 G:VAL201 4.8 39.1 1.0
CG2 G:ILE207 4.9 44.7 1.0
N G:PRO192 5.0 40.4 1.0

Chlorine binding site 8 out of 8 in 4alj

Go back to Chlorine Binding Sites List in 4alj
Chlorine binding site 8 out of 8 in the Crystal Structure of S. Aureus Fabi in Complex with Nadp and 5-Chloro-2-Phenoxyphenol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of S. Aureus Fabi in Complex with Nadp and 5-Chloro-2-Phenoxyphenol within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl1257

b:51.0
occ:1.00
CL1 H:CH81257 0.0 51.0 1.0
CAL H:CH81257 1.7 47.1 1.0
CAH H:CH81257 2.7 48.0 1.0
CAJ H:CH81257 2.7 50.8 1.0
CZ H:TYR147 3.5 47.1 1.0
O7N H:NAP400 3.6 52.7 1.0
CE1 H:TYR147 3.6 36.0 1.0
CE2 H:TYR147 3.7 44.5 1.0
OH H:TYR147 3.9 47.9 1.0
CD1 H:TYR147 4.0 44.0 1.0
CAI H:CH81257 4.0 50.0 1.0
CAM H:CH81257 4.0 49.8 1.0
CE1 H:PHE204 4.1 48.9 1.0
CD2 H:TYR147 4.1 50.0 1.0
CD1 H:PHE204 4.1 50.4 1.0
CG H:TYR147 4.2 43.5 1.0
C4N H:NAP400 4.2 40.6 1.0
CB H:PRO192 4.4 47.4 1.0
C7N H:NAP400 4.4 52.7 1.0
CD1 H:ILE207 4.4 53.6 1.0
C3N H:NAP400 4.5 47.5 1.0
CA H:PRO192 4.5 46.0 1.0
CAO H:CH81257 4.5 49.9 1.0
CE1 H:TYR157 4.7 39.8 1.0
CG2 H:ILE207 4.9 53.8 1.0
CD1 H:TYR157 5.0 40.0 1.0

Reference:

J.Schiebel, A.Chang, H.Lu, M.V.Baxter, P.J.Tonge, C.Kisker. Staphylococcus Aureus Fabi: Inhibition, Substrate Recognition and Potential Implications For in Vivo Essentiality Structure V. 20 802 2012.
ISSN: ISSN 0969-2126
PubMed: 22579249
DOI: 10.1016/J.STR.2012.03.013
Page generated: Sun Jul 21 09:11:01 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy