Atomistry » Chlorine » PDB 5qcd-5qhw » 5qch
Atomistry »
  Chlorine »
    PDB 5qcd-5qhw »
      5qch »

Chlorine in PDB 5qch: Crystal Structure of Human Cathepsin-S with Bound Ligand

Enzymatic activity of Crystal Structure of Human Cathepsin-S with Bound Ligand

All present enzymatic activity of Crystal Structure of Human Cathepsin-S with Bound Ligand:
3.4.22.27;

Protein crystallography data

The structure of Crystal Structure of Human Cathepsin-S with Bound Ligand, PDB code: 5qch was solved by S.D.Bembenek, M.K.Ameriks, T.Mirzadegan, H.Yang, C.Shao, S.K.Burley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.11 / 2.20
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 54.120, 68.130, 79.020, 88.06, 87.69, 73.08
R / Rfree (%) 19.9 / 25.1

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human Cathepsin-S with Bound Ligand (pdb code 5qch). 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 Human Cathepsin-S with Bound Ligand, PDB code: 5qch:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 5qch

Go back to Chlorine Binding Sites List in 5qch
Chlorine binding site 1 out of 8 in the Crystal Structure of Human Cathepsin-S with Bound Ligand


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 Human Cathepsin-S with Bound Ligand within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl802

b:22.3
occ:1.00
 CL3 A:BJS802 0.0 22.3 1.0
C74 A:BJS802 1.7 21.3 1.0
C73 A:BJS802 2.7 19.0 1.0
C75 A:BJS802 2.7 19.0 1.0
NH2 A:ARG141 3.0 34.8 1.0
C85 A:BJS802 3.1 17.4 1.0
O A:HOH1004 3.4 33.0 1.0
C89 A:BJS802 3.7 16.7 1.0
N87 A:BJS802 3.9 15.4 1.0
C72 A:BJS802 4.0 19.5 1.0
C76 A:BJS802 4.0 18.8 1.0
O A:HOH1069 4.0 17.7 1.0
CZ A:ARG141 4.2 49.4 1.0
C70 A:BJS802 4.5 18.8 1.0
NE A:ARG141 4.8 39.7 1.0

Chlorine binding site 2 out of 8 in 5qch

Go back to Chlorine Binding Sites List in 5qch
Chlorine binding site 2 out of 8 in the Crystal Structure of Human Cathepsin-S with Bound Ligand


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 Human Cathepsin-S with Bound Ligand within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl802

b:23.1
occ:1.00
 CL4 A:BJS802 0.0 23.1 1.0
C55 A:BJS802 1.7 22.5 1.0
C56 A:BJS802 2.7 22.7 1.0
C54 A:BJS802 2.7 19.2 1.0
C66 A:BJS802 3.1 18.6 1.0
N A:GLY165 3.4 11.0 1.0
CA A:GLY165 3.5 10.1 1.0
C A:HIS164 3.6 14.8 1.0
C68 A:BJS802 3.9 18.8 1.0
O A:HIS164 4.0 13.0 1.0
C57 A:BJS802 4.0 22.4 1.0
C53 A:BJS802 4.0 21.1 1.0
CA A:GLY137 4.0 9.2 1.0
SD A:MET71 4.1 16.4 1.0
N A:HIS164 4.2 9.7 1.0
CE A:MET71 4.2 12.8 1.0
CA A:HIS164 4.3 9.2 1.0
C51 A:BJS802 4.5 20.9 1.0
O A:HOH1068 4.8 31.0 1.0
O A:HOH1093 4.8 24.9 1.0
O A:GLY69 4.8 16.6 1.0
N A:GLY137 4.8 10.0 1.0
C A:ASN163 4.9 13.8 1.0
CG2 A:VAL162 4.9 13.8 1.0
O A:VAL136 4.9 14.2 1.0
OG A:SER25 4.9 21.5 1.0

Chlorine binding site 3 out of 8 in 5qch

Go back to Chlorine Binding Sites List in 5qch
Chlorine binding site 3 out of 8 in the Crystal Structure of Human Cathepsin-S with Bound Ligand


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 Human Cathepsin-S with Bound Ligand within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl803

b:21.1
occ:1.00
 CL3 B:BJS803 0.0 21.1 1.0
C74 B:BJS803 1.7 19.1 1.0
C73 B:BJS803 2.7 15.6 1.0
C75 B:BJS803 2.7 17.1 1.0
NH2 B:ARG141 3.0 30.9 1.0
C85 B:BJS803 3.1 11.9 1.0
C89 B:BJS803 3.7 8.9 1.0
O B:HOH1120 3.7 23.1 1.0
O D:THR42 3.8 16.6 1.0
O D:HOH1153 3.9 15.1 1.0
N87 B:BJS803 3.9 9.1 1.0
C72 B:BJS803 4.0 14.4 1.0
C76 B:BJS803 4.0 16.8 1.0
CA D:GLY43 4.0 14.3 1.0
CZ B:ARG141 4.2 41.8 1.0
C70 B:BJS803 4.5 15.7 1.0
C D:THR42 4.6 15.8 1.0
N D:GLY43 4.7 13.9 1.0
C D:GLY43 4.8 18.2 1.0
NE B:ARG141 4.9 31.0 1.0
O D:GLY43 4.9 17.9 1.0

Chlorine binding site 4 out of 8 in 5qch

Go back to Chlorine Binding Sites List in 5qch
Chlorine binding site 4 out of 8 in the Crystal Structure of Human Cathepsin-S with Bound Ligand


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 Human Cathepsin-S with Bound Ligand within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl803

b:21.7
occ:1.00
 CL4 B:BJS803 0.0 21.7 1.0
C55 B:BJS803 1.7 19.8 1.0
C56 B:BJS803 2.7 17.7 1.0
C54 B:BJS803 2.7 16.8 1.0
C66 B:BJS803 3.1 17.2 1.0
N B:GLY165 3.4 12.4 1.0
CA B:GLY165 3.5 11.7 1.0
C B:HIS164 3.7 15.3 1.0
C68 B:BJS803 3.8 17.0 1.0
C53 B:BJS803 4.0 15.9 1.0
C57 B:BJS803 4.0 16.9 1.0
O B:HIS164 4.0 14.4 1.0
CA B:GLY137 4.1 11.6 1.0
SD B:MET71 4.1 16.3 1.0
N B:HIS164 4.2 11.1 1.0
CE B:MET71 4.2 12.6 1.0
CA B:HIS164 4.3 10.2 1.0
C51 B:BJS803 4.5 15.0 1.0
O B:HOH1058 4.5 15.4 1.0
O B:GLY69 4.8 18.0 1.0
C B:ASN163 4.8 15.1 1.0
N B:GLY137 4.9 11.6 1.0
CG2 B:VAL162 4.9 13.3 1.0
OG B:SER25 4.9 11.7 1.0
O B:VAL136 4.9 13.8 1.0

Chlorine binding site 5 out of 8 in 5qch

Go back to Chlorine Binding Sites List in 5qch
Chlorine binding site 5 out of 8 in the Crystal Structure of Human Cathepsin-S with Bound Ligand


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 Human Cathepsin-S with Bound Ligand within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl802

b:23.6
occ:1.00
 CL3 C:BJS802 0.0 23.6 1.0
C74 C:BJS802 1.7 20.0 1.0
C73 C:BJS802 2.7 16.9 1.0
C75 C:BJS802 2.7 15.3 1.0
NH2 C:ARG141 3.0 34.1 1.0
C85 C:BJS802 3.0 12.1 1.0
C89 C:BJS802 3.7 13.4 1.0
N87 C:BJS802 3.9 11.4 1.0
C72 C:BJS802 4.0 15.6 1.0
C76 C:BJS802 4.0 13.2 1.0
O C:HOH1076 4.0 45.0 1.0
CZ C:ARG141 4.2 46.5 1.0
C70 C:BJS802 4.5 15.7 1.0
O C:HOH1158 4.8 38.1 1.0
NE C:ARG141 4.9 39.1 1.0

Chlorine binding site 6 out of 8 in 5qch

Go back to Chlorine Binding Sites List in 5qch
Chlorine binding site 6 out of 8 in the Crystal Structure of Human Cathepsin-S with Bound Ligand


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 Human Cathepsin-S with Bound Ligand within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl802

b:20.8
occ:1.00
 CL4 C:BJS802 0.0 20.8 1.0
C55 C:BJS802 1.7 21.3 1.0
C56 C:BJS802 2.7 20.2 1.0
C54 C:BJS802 2.7 18.9 1.0
C66 C:BJS802 3.1 17.6 1.0
N C:GLY165 3.3 13.8 1.0
CA C:GLY165 3.5 12.8 1.0
C C:HIS164 3.6 16.0 1.0
C68 C:BJS802 3.9 17.1 1.0
O C:HIS164 4.0 15.0 1.0
C57 C:BJS802 4.0 18.4 1.0
C53 C:BJS802 4.0 19.8 1.0
CA C:GLY137 4.1 14.3 1.0
SD C:MET71 4.1 21.1 1.0
N C:HIS164 4.2 11.6 1.0
CE C:MET71 4.3 16.7 1.0
CA C:HIS164 4.3 10.0 1.0
O C:HOH1043 4.4 12.4 1.0
C51 C:BJS802 4.5 19.2 1.0
O C:GLY69 4.8 17.7 1.0
C C:ASN163 4.8 15.4 1.0
N C:GLY137 4.9 13.7 1.0
CG2 C:VAL162 4.9 11.6 1.0
O C:VAL136 4.9 16.2 1.0
O C:HOH992 4.9 18.8 1.0
OG C:SER25 4.9 21.2 1.0

Chlorine binding site 7 out of 8 in 5qch

Go back to Chlorine Binding Sites List in 5qch
Chlorine binding site 7 out of 8 in the Crystal Structure of Human Cathepsin-S with Bound Ligand


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 Human Cathepsin-S with Bound Ligand within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl803

b:21.9
occ:1.00
 CL3 D:BJS803 0.0 21.9 1.0
C74 D:BJS803 1.8 19.9 1.0
C73 D:BJS803 2.7 17.4 1.0
C75 D:BJS803 2.7 16.3 1.0
NH2 D:ARG141 3.0 33.2 1.0
C85 D:BJS803 3.1 14.8 1.0
C89 D:BJS803 3.7 15.3 1.0
O D:HOH1120 3.7 26.4 1.0
N87 D:BJS803 3.9 13.4 1.0
C72 D:BJS803 4.0 14.5 1.0
C76 D:BJS803 4.0 14.5 1.0
CZ D:ARG141 4.2 40.6 1.0
C70 D:BJS803 4.5 16.2 1.0
O D:HOH1139 4.6 51.6 1.0
NE D:ARG141 4.9 29.3 1.0
O D:HOH1121 4.9 32.8 1.0

Chlorine binding site 8 out of 8 in 5qch

Go back to Chlorine Binding Sites List in 5qch
Chlorine binding site 8 out of 8 in the Crystal Structure of Human Cathepsin-S with Bound Ligand


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 Human Cathepsin-S with Bound Ligand within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl803

b:20.3
occ:1.00
 CL4 D:BJS803 0.0 20.3 1.0
C55 D:BJS803 1.8 19.8 1.0
C56 D:BJS803 2.7 18.0 1.0
C54 D:BJS803 2.8 16.8 1.0
C66 D:BJS803 3.1 16.9 1.0
N D:GLY165 3.3 12.4 1.0
CA D:GLY165 3.5 12.0 1.0
C D:HIS164 3.6 13.9 1.0
C68 D:BJS803 3.9 17.0 1.0
O D:HIS164 4.0 12.2 1.0
C57 D:BJS803 4.0 16.9 1.0
C53 D:BJS803 4.0 15.5 1.0
CA D:GLY137 4.1 13.6 1.0
SD D:MET71 4.1 17.3 1.0
N D:HIS164 4.2 8.9 1.0
CE D:MET71 4.3 13.0 1.0
CA D:HIS164 4.3 7.7 1.0
O D:HOH1082 4.5 21.1 1.0
C51 D:BJS803 4.6 16.0 1.0
N D:GLY137 4.8 13.5 1.0
C D:ASN163 4.9 13.4 1.0
O D:GLY69 4.9 15.6 1.0
O D:VAL136 4.9 15.8 1.0
OG D:SER25 4.9 20.0 1.0
CG2 D:VAL162 4.9 14.4 1.0
C D:GLY165 5.0 16.1 1.0

Reference:

S.D.Bembenek, M.K.Ameriks, T.Mirzadegan, H.Yang, C.Shao, S.K.Burley. Crystal Structure of Human Cathepsin-S with Bound Ligand To Be Published.
Page generated: Sat Jul 12 07:27:24 2025

Last articles

Mg in 4XSZ
Mg in 4XTJ
Mg in 4XRU
Mg in 4XSY
Mg in 4XSX
Mg in 4XRP
Mg in 4XSH
Mg in 4XSG
Mg in 4XQT
Mg in 4XRH
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy