Atomistry » Chlorine » PDB 4p8p-4pjx » 4pi9
Atomistry »
  Chlorine »
    PDB 4p8p-4pjx »
      4pi9 »

Chlorine in PDB 4pi9: Crystal Structure of S. Aureus Autolysin E in Complex with Muropeptide Nam-L-Ala-D-Iglu

Protein crystallography data

The structure of Crystal Structure of S. Aureus Autolysin E in Complex with Muropeptide Nam-L-Ala-D-Iglu, PDB code: 4pi9 was solved by M.Mihelic, M.Renko, D.Turk, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.75 / 1.48
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 45.626, 69.312, 73.424, 90.00, 90.00, 90.00
R / Rfree (%) 17.7 / 20.9

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of S. Aureus Autolysin E in Complex with Muropeptide Nam-L-Ala-D-Iglu (pdb code 4pi9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Crystal Structure of S. Aureus Autolysin E in Complex with Muropeptide Nam-L-Ala-D-Iglu, PDB code: 4pi9:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 4pi9

Go back to Chlorine Binding Sites List in 4pi9
Chlorine binding site 1 out of 7 in the Crystal Structure of S. Aureus Autolysin E in Complex with Muropeptide Nam-L-Ala-D-Iglu


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 Autolysin E in Complex with Muropeptide Nam-L-Ala-D-Iglu within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl304

b:49.0
occ:1.00
 N A:ILE252 3.2 25.9 1.0
O A:HOH471 3.2 41.9 1.0
CA A:ASP251 3.8 31.3 1.0
CB A:ILE252 3.9 28.7 1.0
O A:ILE252 3.9 28.9 1.0
C A:ASP251 4.0 30.1 1.0
CG1 A:ILE252 4.0 32.0 1.0
CA A:ILE252 4.0 27.3 1.0
C A:ILE252 4.5 29.6 1.0
O A:ASP250 4.5 26.4 1.0
OD1 A:ASP251 4.5 49.4 1.0
CB A:ASP251 4.6 35.9 1.0
N A:ASP251 4.9 28.0 1.0
CG A:ASP251 4.9 44.3 1.0

Chlorine binding site 2 out of 7 in 4pi9

Go back to Chlorine Binding Sites List in 4pi9
Chlorine binding site 2 out of 7 in the Crystal Structure of S. Aureus Autolysin E in Complex with Muropeptide Nam-L-Ala-D-Iglu


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 Autolysin E in Complex with Muropeptide Nam-L-Ala-D-Iglu within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl305

b:29.6
occ:1.00
 NZ A:LYS243 3.1 23.6 1.0
CE A:LYS243 3.6 23.8 1.0
CD A:LYS243 3.9 24.0 1.0
CG A:LYS243 5.0 22.0 1.0

Chlorine binding site 3 out of 7 in 4pi9

Go back to Chlorine Binding Sites List in 4pi9
Chlorine binding site 3 out of 7 in the Crystal Structure of S. Aureus Autolysin E in Complex with Muropeptide Nam-L-Ala-D-Iglu


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 Autolysin E in Complex with Muropeptide Nam-L-Ala-D-Iglu within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl306

b:24.4
occ:1.00
 OG A:SER98 3.0 26.2 0.6
OG A:SER98 3.2 23.3 0.4
N A:SER98 3.4 19.6 1.0
CB A:SER96 3.5 20.3 1.0
CB A:SER98 3.6 21.5 0.6
CB A:SER98 3.6 21.1 0.4
OG A:SER96 3.7 20.5 1.0
N A:GLU97 3.8 19.7 1.0
CA A:SER98 4.1 19.9 0.6
CA A:SER98 4.1 19.8 0.4
C A:GLU97 4.3 19.3 1.0
CB A:GLU97 4.4 25.8 1.0
CA A:GLU97 4.4 20.4 1.0
C A:SER96 4.5 19.2 1.0
CA A:SER96 4.5 18.4 1.0
O A:HOH502 4.7 30.7 1.0

Chlorine binding site 4 out of 7 in 4pi9

Go back to Chlorine Binding Sites List in 4pi9
Chlorine binding site 4 out of 7 in the Crystal Structure of S. Aureus Autolysin E in Complex with Muropeptide Nam-L-Ala-D-Iglu


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 Autolysin E in Complex with Muropeptide Nam-L-Ala-D-Iglu within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl307

b:63.1
occ:1.00
 O A:HOH457 3.1 37.4 1.0
N A:VAL54 3.2 37.8 1.0
O A:HOH507 3.2 53.8 1.0
O A:HOH585 3.6 35.2 1.0
CB A:VAL54 3.7 39.3 1.0
CG2 A:VAL54 3.8 43.6 1.0
CA A:VAL54 4.0 38.0 1.0
CAE A:3LT311 4.0 35.5 1.0
CA A:ILE53 4.1 41.4 1.0
C A:ILE53 4.2 43.4 1.0
O A:VAL54 4.2 30.7 1.0
CG2 A:ILE53 4.4 38.4 1.0
O A:GLY52 4.5 43.3 1.0
C A:VAL54 4.6 32.3 1.0
CB A:ILE53 4.8 40.5 1.0
O A:HOH508 4.9 45.1 1.0
OAH A:3LT311 4.9 29.6 1.0
OAF A:3LT311 4.9 41.2 1.0
CAD A:3LT311 5.0 31.5 1.0
OG A:SER226 5.0 21.4 0.6

Chlorine binding site 5 out of 7 in 4pi9

Go back to Chlorine Binding Sites List in 4pi9
Chlorine binding site 5 out of 7 in the Crystal Structure of S. Aureus Autolysin E in Complex with Muropeptide Nam-L-Ala-D-Iglu


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 Autolysin E in Complex with Muropeptide Nam-L-Ala-D-Iglu within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl308

b:23.4
occ:1.00
 O A:HOH480 3.2 20.3 1.0
NE1 A:TRP214 3.2 17.1 1.0
O A:HOH474 3.2 27.0 1.0
NZ A:LYS85 3.3 27.1 1.0
O A:HOH416 3.4 34.9 1.0
O A:ALA74 3.6 24.8 1.0
CD A:LYS85 3.8 25.9 1.0
CD1 A:TRP214 3.9 17.0 1.0
CE A:LYS85 3.9 27.3 1.0
CB A:ALA231 3.9 16.2 1.0
OD2 A:ASP232 4.0 27.8 1.0
CD1 A:TYR210 4.1 17.4 1.0
CE2 A:TRP214 4.3 17.3 1.0
CE1 A:TYR210 4.5 18.3 1.0
O A:ILE228 4.7 19.0 1.0
CG A:ASP232 4.7 26.0 1.0
C A:ALA74 4.7 22.5 1.0
CZ2 A:TRP214 4.8 17.1 1.0
OD1 A:ASP232 4.8 29.0 1.0
N A:ASP232 5.0 15.8 1.0
CA A:ALA231 5.0 15.6 1.0

Chlorine binding site 6 out of 7 in 4pi9

Go back to Chlorine Binding Sites List in 4pi9
Chlorine binding site 6 out of 7 in the Crystal Structure of S. Aureus Autolysin E in Complex with Muropeptide Nam-L-Ala-D-Iglu


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 Autolysin E in Complex with Muropeptide Nam-L-Ala-D-Iglu within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl309

b:32.0
occ:1.00
 O A:HOH550 3.1 52.4 1.0
N A:TYR256 3.1 22.4 1.0
O A:HOH637 3.2 49.2 1.0
N A:TYR257 3.3 22.5 1.0
O A:HOH420 3.5 44.5 1.0
O A:GLN254 3.8 29.5 1.0
CD2 A:TYR257 3.8 22.1 1.0
CA A:THR255 3.8 26.8 1.0
O A:TYR257 3.9 27.9 1.0
C A:THR255 4.0 23.4 1.0
CB A:TYR257 4.0 23.6 1.0
CA A:TYR256 4.0 21.8 1.0
CD1 A:ILE77 4.1 34.4 0.7
CA A:TYR257 4.1 22.9 1.0
C A:TYR256 4.1 22.7 1.0
CG A:TYR257 4.3 22.7 1.0
CG2 A:THR255 4.3 31.0 1.0
C A:TYR257 4.4 26.7 1.0
CB A:TYR256 4.5 21.5 1.0
C A:GLN254 4.7 27.7 1.0
CB A:THR255 4.7 30.2 1.0
N A:THR255 4.8 26.4 1.0
CE2 A:TYR257 4.8 23.8 1.0

Chlorine binding site 7 out of 7 in 4pi9

Go back to Chlorine Binding Sites List in 4pi9
Chlorine binding site 7 out of 7 in the Crystal Structure of S. Aureus Autolysin E in Complex with Muropeptide Nam-L-Ala-D-Iglu


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 Autolysin E in Complex with Muropeptide Nam-L-Ala-D-Iglu within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl310

b:30.2
occ:1.00
 OE1 A:GLU138 2.3 41.8 1.0
NE1 A:TRP230 3.1 16.4 1.0
NE2 A:HIS134 3.2 17.6 1.0
O A:HOH450 3.4 25.8 1.0
CD A:GLU138 3.4 39.3 1.0
O A:PHE161 3.5 18.2 1.0
CE1 A:TYR224 3.7 15.5 1.0
CD1 A:TRP230 3.8 15.8 1.0
CD2 A:HIS134 3.8 15.8 1.0
C A:PHE161 4.0 19.6 1.0
CD1 A:TYR224 4.1 17.1 1.0
O A:HOH549 4.1 40.7 1.0
CG A:GLU138 4.1 33.7 1.0
CA A:GLY162 4.2 21.1 1.0
CE1 A:HIS134 4.2 17.9 1.0
CE2 A:TRP230 4.2 14.9 1.0
O1 A:SO4301 4.2 45.4 0.6
CB A:GLU138 4.3 26.8 1.0
OE2 A:GLU138 4.3 45.7 1.0
N A:GLY162 4.4 19.8 1.0
CZ2 A:TRP230 4.7 14.9 1.0
CZ A:TYR224 4.8 15.8 1.0
O A:GLY162 4.9 20.8 1.0
O A:HOH610 4.9 49.4 1.0
CA A:PHE161 4.9 17.9 1.0
C A:GLY162 5.0 20.7 1.0
CB A:ALA225 5.0 18.8 1.0

Reference:

M.Mihelic, K.Vlahovicek-Kahlina, M.Renko, S.Mesnage, A.Dobersek, A.Taler-Vercic, A.Jakas, D.Turk. The Mechanism Behind the Selection of Two Different Cleavage Sites in Nag-Nam Polymers. Iucrj V. 4 185 2017.
ISSN: ESSN 2052-2525
PubMed: 28250957
DOI: 10.1107/S2052252517000367
Page generated: Sat Dec 12 11:03:11 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