Atomistry » Chlorine » PDB 4pws-4q5r » 4q53
Atomistry »
  Chlorine »
    PDB 4pws-4q5r »
      4q53 »

Chlorine in PDB 4q53: Crystal Structure of A Hypothetical Protein (BACUNI_04292) From Bacteroides Uniformis Atcc 8492 at 1.27 A Resolution

Protein crystallography data

The structure of Crystal Structure of A Hypothetical Protein (BACUNI_04292) From Bacteroides Uniformis Atcc 8492 at 1.27 A Resolution, PDB code: 4q53 was solved by Joint Center For Structural Genomics (Jcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 28.00 / 1.27
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 108.136, 37.109, 61.376, 90.00, 121.66, 90.00
R / Rfree (%) 15.4 / 17.6

Other elements in 4q53:

The structure of Crystal Structure of A Hypothetical Protein (BACUNI_04292) From Bacteroides Uniformis Atcc 8492 at 1.27 A Resolution also contains other interesting chemical elements:

Iodine (I) 11 atoms
Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of A Hypothetical Protein (BACUNI_04292) From Bacteroides Uniformis Atcc 8492 at 1.27 A Resolution (pdb code 4q53). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 9 binding sites of Chlorine where determined in the Crystal Structure of A Hypothetical Protein (BACUNI_04292) From Bacteroides Uniformis Atcc 8492 at 1.27 A Resolution, PDB code: 4q53:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Chlorine binding site 1 out of 9 in 4q53

Go back to Chlorine Binding Sites List in 4q53
Chlorine binding site 1 out of 9 in the Crystal Structure of A Hypothetical Protein (BACUNI_04292) From Bacteroides Uniformis Atcc 8492 at 1.27 A Resolution


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 A Hypothetical Protein (BACUNI_04292) From Bacteroides Uniformis Atcc 8492 at 1.27 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl208

b:24.5
occ:1.00
 O A:HOH306 2.9 35.9 1.0
O A:HOH338 3.4 28.7 1.0
ND2 A:ASN74 3.6 28.9 1.0
CA A:PHE71 3.9 16.8 1.0
CE1 A:HIS75 3.9 18.7 1.0
O A:ALA70 4.1 20.3 1.0
N A:PHE71 4.2 17.1 1.0
C A:ALA70 4.3 18.7 1.0
CD1 A:PHE71 4.3 16.1 1.0
CB A:ASN74 4.4 24.0 1.0
CG A:ASN74 4.4 26.6 1.0
CB A:PHE71 4.5 16.7 1.0
ND1 A:HIS75 4.5 18.6 1.0
CB A:ALA70 4.8 20.8 1.0
CG A:PHE71 4.8 14.5 1.0
C A:PHE71 5.0 16.5 1.0

Chlorine binding site 2 out of 9 in 4q53

Go back to Chlorine Binding Sites List in 4q53
Chlorine binding site 2 out of 9 in the Crystal Structure of A Hypothetical Protein (BACUNI_04292) From Bacteroides Uniformis Atcc 8492 at 1.27 A Resolution


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 A Hypothetical Protein (BACUNI_04292) From Bacteroides Uniformis Atcc 8492 at 1.27 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl209

b:30.0
occ:0.67
 O A:HOH325 2.5 28.0 1.0
CL A:CL210 2.7 28.2 0.3
O A:HOH353 2.9 29.6 1.0
N A:VAL82 3.3 13.6 1.0
CB A:VAL82 3.9 13.9 1.0
CA A:ASN81 4.0 16.0 1.0
CG2 A:VAL82 4.0 17.1 1.0
NZ A:LYS33 4.2 20.3 1.0
CA A:VAL82 4.2 12.4 1.0
C A:ASN81 4.2 13.0 1.0
O A:PHE80 4.2 17.7 1.0
CE A:LYS33 4.2 19.9 1.0
O A:VAL82 4.4 13.8 1.0
CG2 A:ILE29 4.5 16.7 1.0
OD1 A:ASN81 4.6 28.0 1.0
CB A:ASN81 4.8 20.6 1.0
C A:VAL82 4.8 12.3 1.0
N A:ASN81 4.9 14.6 1.0
C A:PHE80 4.9 15.3 1.0

Chlorine binding site 3 out of 9 in 4q53

Go back to Chlorine Binding Sites List in 4q53
Chlorine binding site 3 out of 9 in the Crystal Structure of A Hypothetical Protein (BACUNI_04292) From Bacteroides Uniformis Atcc 8492 at 1.27 A Resolution


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 A Hypothetical Protein (BACUNI_04292) From Bacteroides Uniformis Atcc 8492 at 1.27 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl210

b:28.2
occ:0.33
 CL A:CL209 2.7 30.0 0.7
NZ A:LYS33 2.8 20.3 1.0
OD1 A:ASN81 3.0 28.0 1.0
CE A:LYS33 3.7 19.9 1.0
O A:HOH333 3.8 31.1 1.0
O A:PHE80 3.8 17.7 1.0
CG A:ASN81 3.9 23.1 1.0
CA A:ASN81 4.3 16.0 1.0
O A:HOH353 4.3 29.6 1.0
CB A:ASN81 4.5 20.6 1.0
O A:HOH374 4.5 34.0 1.0
O A:HOH325 4.5 28.0 1.0
C A:PHE80 4.8 15.3 1.0
O A:HOH318 4.9 22.7 1.0
ND2 A:ASN81 4.9 24.3 1.0

Chlorine binding site 4 out of 9 in 4q53

Go back to Chlorine Binding Sites List in 4q53
Chlorine binding site 4 out of 9 in the Crystal Structure of A Hypothetical Protein (BACUNI_04292) From Bacteroides Uniformis Atcc 8492 at 1.27 A Resolution


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 A Hypothetical Protein (BACUNI_04292) From Bacteroides Uniformis Atcc 8492 at 1.27 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl211

b:18.0
occ:1.00
 OG1 A:THR63 3.3 22.2 1.0
CB A:THR63 3.7 17.9 1.0
CG2 A:THR63 3.8 20.4 1.0
N A:ASP60 3.9 18.1 1.0
CA A:ALA59 4.1 17.2 1.0
O A:HOH383 4.1 37.9 1.0
O A:HOH348 4.1 38.3 1.0
OD1 A:ASP60 4.2 23.6 1.0
O A:HIS58 4.3 23.6 1.0
CG A:ASP60 4.4 22.6 1.0
C A:ALA59 4.5 17.3 1.0
OD2 A:ASP60 4.6 25.3 1.0
CB A:ALA59 4.7 19.6 1.0
O A:HOH316 5.0 23.1 1.0
CB A:ASP60 5.0 22.5 1.0
CA A:ASP60 5.0 19.7 1.0

Chlorine binding site 5 out of 9 in 4q53

Go back to Chlorine Binding Sites List in 4q53
Chlorine binding site 5 out of 9 in the Crystal Structure of A Hypothetical Protein (BACUNI_04292) From Bacteroides Uniformis Atcc 8492 at 1.27 A Resolution


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 A Hypothetical Protein (BACUNI_04292) From Bacteroides Uniformis Atcc 8492 at 1.27 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl207

b:16.4
occ:1.00
 O B:HOH320 3.3 25.9 1.0
O B:HOH355 3.5 26.8 1.0
ND2 B:ASN74 3.5 19.9 1.0
CA B:PHE71 3.8 14.2 1.0
CE1 B:HIS75 3.9 16.6 1.0
O B:ALA70 4.1 16.0 1.0
N B:PHE71 4.1 14.4 1.0
C B:ALA70 4.2 14.9 1.0
CB B:ASN74 4.2 17.6 1.0
CD1 B:PHE71 4.3 14.5 1.0
CG B:ASN74 4.4 18.6 1.0
O B:HOH339 4.4 25.5 1.0
ND1 B:HIS75 4.4 16.9 1.0
CB B:PHE71 4.5 14.1 1.0
CB B:ALA70 4.6 16.6 1.0
CG B:PHE71 4.8 12.9 1.0
C B:PHE71 4.9 14.7 1.0
NE2 B:HIS75 5.0 18.6 1.0
O B:PHE71 5.0 15.5 1.0
O B:HOH340 5.0 23.4 1.0

Chlorine binding site 6 out of 9 in 4q53

Go back to Chlorine Binding Sites List in 4q53
Chlorine binding site 6 out of 9 in the Crystal Structure of A Hypothetical Protein (BACUNI_04292) From Bacteroides Uniformis Atcc 8492 at 1.27 A Resolution


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 A Hypothetical Protein (BACUNI_04292) From Bacteroides Uniformis Atcc 8492 at 1.27 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl208

b:27.5
occ:1.00
 ND2 B:ASN83 2.3 20.1 0.5
OD1 B:ASN83 3.1 17.4 0.5
CG B:ASN83 3.1 16.7 0.5
O B:HOH323 3.1 35.7 1.0
ND2 B:ASN83 3.7 20.5 0.5
CD1 B:ILE97 3.7 22.3 1.0
CG1 B:ILE97 3.9 17.6 1.0
CG2 B:ILE95 4.0 15.8 1.0
CB B:ASN83 4.2 15.7 0.5
CG B:ARG106 4.2 18.7 1.0
C B:GLY96 4.4 13.0 1.0
O B:GLY96 4.4 14.1 1.0
CG B:ASN83 4.4 18.8 0.5
CD B:ARG106 4.4 22.0 1.0
CB B:ASN83 4.5 13.5 0.5
CA B:GLY96 4.5 13.1 1.0
O B:HOH352 4.6 37.6 1.0
N B:GLY96 4.7 12.2 1.0
N B:ILE97 4.8 12.4 1.0
NE B:ARG106 4.9 24.9 1.0
CB B:ARG106 5.0 15.8 1.0

Chlorine binding site 7 out of 9 in 4q53

Go back to Chlorine Binding Sites List in 4q53
Chlorine binding site 7 out of 9 in the Crystal Structure of A Hypothetical Protein (BACUNI_04292) From Bacteroides Uniformis Atcc 8492 at 1.27 A Resolution


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 A Hypothetical Protein (BACUNI_04292) From Bacteroides Uniformis Atcc 8492 at 1.27 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl209

b:39.6
occ:1.00
 O B:HOH363 2.4 30.6 1.0
O B:HOH348 2.7 36.2 1.0
O B:HOH381 3.0 30.9 1.0
N B:VAL82 3.3 14.0 1.0
CA B:ASN81 3.8 15.6 1.0
CB B:VAL82 3.9 15.1 1.0
CG2 B:VAL82 3.9 18.9 1.0
NZ B:LYS33 4.0 20.7 1.0
CE B:LYS33 4.0 18.2 1.0
O B:PHE80 4.1 16.0 1.0
C B:ASN81 4.1 14.2 1.0
CA B:VAL82 4.2 13.6 1.0
OD1 B:ASN81 4.4 26.8 1.0
CG2 B:ILE29 4.5 15.6 1.0
O B:VAL82 4.6 15.0 1.0
CB B:ASN81 4.7 18.8 1.0
N B:ASN81 4.8 14.4 1.0
C B:PHE80 4.8 14.5 1.0
C B:VAL82 4.9 13.8 1.0
CG B:ASN81 4.9 21.4 1.0

Chlorine binding site 8 out of 9 in 4q53

Go back to Chlorine Binding Sites List in 4q53
Chlorine binding site 8 out of 9 in the Crystal Structure of A Hypothetical Protein (BACUNI_04292) From Bacteroides Uniformis Atcc 8492 at 1.27 A Resolution


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 A Hypothetical Protein (BACUNI_04292) From Bacteroides Uniformis Atcc 8492 at 1.27 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl210

b:32.1
occ:1.00
 CG B:HIS84 3.8 12.5 1.0
O1 B:PG4206 3.9 7.5 0.5
CD2 B:HIS84 4.0 11.7 1.0
ND1 B:HIS84 4.0 13.7 1.0
O B:ASN83 4.2 13.4 1.0
CB B:HIS84 4.2 12.7 1.0
NE2 B:HIS84 4.3 12.4 1.0
CE1 B:HIS84 4.3 13.4 1.0
O B:HOH323 4.9 35.7 1.0
C1 B:PG4206 4.9 17.1 0.5

Chlorine binding site 9 out of 9 in 4q53

Go back to Chlorine Binding Sites List in 4q53
Chlorine binding site 9 out of 9 in the Crystal Structure of A Hypothetical Protein (BACUNI_04292) From Bacteroides Uniformis Atcc 8492 at 1.27 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of A Hypothetical Protein (BACUNI_04292) From Bacteroides Uniformis Atcc 8492 at 1.27 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl211

b:35.6
occ:1.00
 O B:HOH337 3.1 30.2 1.0
N B:TYR118 3.1 15.8 1.0
CG2 B:VAL24 3.2 21.4 0.5
CD1 B:TYR118 3.7 19.2 1.0
CA B:LYS117 3.8 23.3 1.0
C B:LYS117 3.9 18.0 1.0
CB B:TYR118 4.0 15.2 1.0
CG B:LYS117 4.0 33.0 1.0
CB B:VAL24 4.0 21.5 0.5
CA B:TYR118 4.1 14.3 1.0
CG2 B:VAL24 4.1 21.9 0.5
CB B:VAL24 4.2 21.1 0.5
CG B:TYR118 4.3 15.4 1.0
O B:TYR118 4.3 17.4 1.0
CB B:LYS117 4.4 27.4 1.0
O B:ASN116 4.6 30.6 1.0
O B:HOH365 4.7 40.0 1.0
C B:TYR118 4.7 13.7 1.0
CE1 B:TYR118 4.8 20.8 1.0
N B:LYS117 5.0 23.8 1.0
N B:VAL24 5.0 23.2 0.5
CG1 B:VAL24 5.0 19.6 0.5

Reference:

Joint Center For Structural Genomics (Jcsg), Joint Center For Structural Genomics (Jcsg). N/A N/A.
Page generated: Fri Jul 26 00:18:32 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