Atomistry » Chlorine » PDB 4r6c-4rjd » 4re6
Atomistry »
  Chlorine »
    PDB 4r6c-4rjd »
      4re6 »

Chlorine in PDB 4re6: Acylaminoacyl Peptidase Complexed with A Chloromethylketone Inhibitor

Enzymatic activity of Acylaminoacyl Peptidase Complexed with A Chloromethylketone Inhibitor

All present enzymatic activity of Acylaminoacyl Peptidase Complexed with A Chloromethylketone Inhibitor:
3.4.19.1;

Protein crystallography data

The structure of Acylaminoacyl Peptidase Complexed with A Chloromethylketone Inhibitor, PDB code: 4re6 was solved by D.K.Menyhard, Z.Orgovan, Z.Szeltner, I.Szamosi, V.Harmat, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.85 / 2.55
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 71.580, 97.300, 99.160, 105.15, 103.96, 100.26
R / Rfree (%) 21.2 / 26

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Acylaminoacyl Peptidase Complexed with A Chloromethylketone Inhibitor (pdb code 4re6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Acylaminoacyl Peptidase Complexed with A Chloromethylketone Inhibitor, PDB code: 4re6:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 4re6

Go back to Chlorine Binding Sites List in 4re6
Chlorine binding site 1 out of 6 in the Acylaminoacyl Peptidase Complexed with A Chloromethylketone Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Acylaminoacyl Peptidase Complexed with A Chloromethylketone Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl602

b:38.4
occ:1.00
 O A:ARG345 3.6 35.7 1.0
O A:HOH768 4.2 16.7 1.0
CE3 A:TRP407 4.3 30.4 1.0
CD2 A:TRP407 4.3 28.7 1.0
CZ3 A:TRP337 4.4 40.9 1.0
CG A:TRP407 4.5 28.5 1.0
CB A:TYR403 4.7 32.1 1.0
CZ3 A:TRP407 4.7 30.7 1.0
CE2 A:TRP407 4.7 27.9 1.0
C A:ARG345 4.8 37.1 1.0
CB A:TRP407 4.8 28.2 1.0
O A:TYR403 4.9 28.6 1.0

Chlorine binding site 2 out of 6 in 4re6

Go back to Chlorine Binding Sites List in 4re6
Chlorine binding site 2 out of 6 in the Acylaminoacyl Peptidase Complexed with A Chloromethylketone Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Acylaminoacyl Peptidase Complexed with A Chloromethylketone Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl603

b:39.8
occ:1.00
 CD2 A:LEU106 4.1 35.6 1.0
O A:HOH756 4.1 46.2 1.0
CD2 A:LEU139 4.2 35.6 1.0
NH1 A:ARG76 4.3 30.6 1.0
CG A:LEU139 4.3 37.2 1.0
CG2 A:VAL124 4.7 29.0 1.0
CZ A:ARG76 4.7 32.6 1.0
NH2 A:ARG76 4.7 33.8 1.0
CD1 A:LEU106 4.8 36.1 1.0
O A:LEU139 4.9 42.2 1.0
NZ A:LYS94 4.9 60.6 1.0

Chlorine binding site 3 out of 6 in 4re6

Go back to Chlorine Binding Sites List in 4re6
Chlorine binding site 3 out of 6 in the Acylaminoacyl Peptidase Complexed with A Chloromethylketone Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Acylaminoacyl Peptidase Complexed with A Chloromethylketone Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl601

b:40.0
occ:1.00
 O B:ALA388 3.2 27.6 1.0
C B:ALA388 3.7 27.9 1.0
CA B:ALA388 3.7 27.5 1.0
NH2 B:ARG579 3.9 34.2 1.0
CG1 B:ILE12 3.9 28.0 1.0
CD1 B:ILE12 4.1 27.7 1.0
O B:HOH796 4.2 16.0 1.0
CB B:ALA388 4.3 29.0 1.0
O B:ALA387 4.5 27.2 1.0
N B:GLY389 4.8 27.9 1.0
CZ B:ARG11 4.9 39.1 1.0
NH1 B:ARG11 4.9 39.9 1.0
N B:ALA388 4.9 26.4 1.0
CZ B:ARG579 5.0 36.5 1.0

Chlorine binding site 4 out of 6 in 4re6

Go back to Chlorine Binding Sites List in 4re6
Chlorine binding site 4 out of 6 in the Acylaminoacyl Peptidase Complexed with A Chloromethylketone Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Acylaminoacyl Peptidase Complexed with A Chloromethylketone Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl602

b:35.9
occ:1.00
 OG B:SER301 3.4 28.4 1.0
OG1 B:THR304 3.6 29.3 1.0
O B:GLN282 3.7 31.9 1.0
O B:HOH728 3.8 16.2 1.0
CE1 B:HIS299 3.9 22.3 1.0
OG B:SER303 3.9 29.0 1.0
CB B:SER301 4.0 27.7 1.0
NE2 B:HIS299 4.3 22.7 1.0
CB B:THR304 4.6 28.7 1.0
C B:GLN282 4.8 30.3 1.0

Chlorine binding site 5 out of 6 in 4re6

Go back to Chlorine Binding Sites List in 4re6
Chlorine binding site 5 out of 6 in the Acylaminoacyl Peptidase Complexed with A Chloromethylketone Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Acylaminoacyl Peptidase Complexed with A Chloromethylketone Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl602

b:51.6
occ:1.00
 O C:HOH745 4.0 28.2 1.0
CZ C:PHE488 4.1 37.6 1.0
CE1 C:PHE488 4.2 40.3 1.0
O31 C:Y3A601 4.3 47.6 1.0
CE2 C:PHE488 4.4 39.6 1.0
C13 C:Y3A601 4.4 46.7 1.0
N3 C:Y3A601 4.5 44.9 1.0
CA3 C:Y3A601 4.5 45.5 1.0
CD1 C:PHE488 4.5 38.9 1.0
CD2 C:PHE153 4.6 45.8 1.0
CE2 C:PHE169 4.6 23.3 1.0
CZ C:PHE169 4.6 24.1 1.0
CE2 C:PHE153 4.7 43.9 1.0
CD2 C:PHE371 4.8 27.9 1.0
CD2 C:PHE169 4.8 24.1 1.0
CD2 C:PHE488 4.8 35.6 1.0
CG C:PHE153 4.8 45.1 1.0
CE1 C:PHE169 4.8 25.1 1.0
CG C:PHE488 4.9 35.5 1.0
CZ C:PHE153 4.9 45.2 1.0
CG C:PHE169 4.9 24.7 1.0
CD1 C:PHE169 5.0 26.0 1.0

Chlorine binding site 6 out of 6 in 4re6

Go back to Chlorine Binding Sites List in 4re6
Chlorine binding site 6 out of 6 in the Acylaminoacyl Peptidase Complexed with A Chloromethylketone Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Acylaminoacyl Peptidase Complexed with A Chloromethylketone Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl603

b:44.5
occ:1.00
 O C:ARG345 3.8 24.0 1.0
CD2 C:TRP407 4.2 23.3 1.0
CE3 C:TRP407 4.3 23.8 1.0
CZ3 C:TRP337 4.4 22.4 1.0
CG C:TRP407 4.5 23.8 1.0
CB C:TYR403 4.6 23.5 1.0
CE2 C:TRP407 4.7 22.2 1.0
CB C:TRP407 4.7 25.4 1.0
CZ3 C:TRP407 4.8 23.7 1.0
O C:TYR403 4.8 25.9 1.0
C C:ARG345 5.0 22.1 1.0

Reference:

D.K.Menyhard, Z.Orgovan, Z.Szeltner, I.Szamosi, V.Harmat. Catalytically Distinct States Captured in A Crystal Lattice: the Substrate-Bound and Scavenger States of Acylaminoacyl Peptidase and Their Implications For Functionality Acta Crystallogr.,Sect.D V. 71 2015.
ISSN: ESSN 1399-0047
DOI: 10.1107/S1399004714026819
Page generated: Fri Jul 11 21:19:56 2025

Last articles

Cl in 8BAJ
Cl in 8B7R
Cl in 8BAT
Cl in 8B9X
Cl in 8B9M
Cl in 8B9W
Cl in 8B8Z
Cl in 8B91
Cl in 8B90
Cl in 8B8Y
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy