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Chlorine in PDB 4pxy: Crystal Structure of A Hypothetical Protein (BACUNI_01602) From Bacteroides Uniformis Atcc 8492 at 1.50 A Resolution

Protein crystallography data

The structure of Crystal Structure of A Hypothetical Protein (BACUNI_01602) From Bacteroides Uniformis Atcc 8492 at 1.50 A Resolution, PDB code: 4pxy 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) 29.36 / 1.50
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 132.666, 132.666, 75.476, 90.00, 90.00, 120.00
R / Rfree (%) 13.6 / 16.1

Other elements in 4pxy:

The structure of Crystal Structure of A Hypothetical Protein (BACUNI_01602) From Bacteroides Uniformis Atcc 8492 at 1.50 A Resolution also contains other interesting chemical elements:

Zinc (Zn) 13 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of A Hypothetical Protein (BACUNI_01602) From Bacteroides Uniformis Atcc 8492 at 1.50 A Resolution (pdb code 4pxy). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure of A Hypothetical Protein (BACUNI_01602) From Bacteroides Uniformis Atcc 8492 at 1.50 A Resolution, PDB code: 4pxy:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 4pxy

Go back to Chlorine Binding Sites List in 4pxy
Chlorine binding site 1 out of 6 in the Crystal Structure of A Hypothetical Protein (BACUNI_01602) From Bacteroides Uniformis Atcc 8492 at 1.50 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_01602) From Bacteroides Uniformis Atcc 8492 at 1.50 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl310

b:18.3
occ:1.00
 O A:HOH486 2.9 21.9 1.0
O A:HOH496 2.9 23.0 1.0
N A:ALA176 3.2 10.8 1.0
CG A:PRO152 3.7 12.6 1.0
CA A:PRO175 3.7 12.6 1.0
CB A:ALA176 3.8 11.8 1.0
C A:PRO175 4.0 10.0 1.0
CD1 A:ILE240 4.0 11.9 1.0
CB A:PRO175 4.0 13.9 1.0
CD A:PRO152 4.0 11.3 1.0
CA A:ALA176 4.0 11.0 1.0
CB A:PRO152 4.1 11.2 1.0
O A:HOH536 4.3 26.5 1.0
N A:PRO152 4.6 9.5 1.0
CA A:PRO152 4.8 9.6 1.0
O A:HOH421 4.9 15.6 1.0

Chlorine binding site 2 out of 6 in 4pxy

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Chlorine binding site 2 out of 6 in the Crystal Structure of A Hypothetical Protein (BACUNI_01602) From Bacteroides Uniformis Atcc 8492 at 1.50 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_01602) From Bacteroides Uniformis Atcc 8492 at 1.50 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl311

b:34.5
occ:1.00
 O A:HOH610 2.6 34.2 1.0
O A:HOH511 2.7 25.1 1.0
O A:HOH474 2.7 23.7 1.0
N A:TYR81 2.9 17.7 1.0
CA A:PRO80 3.6 18.7 1.0
CB A:TYR81 3.6 17.5 1.0
CB A:ALA105 3.6 14.1 1.0
CB A:PRO80 3.6 19.5 1.0
CA A:ALA105 3.7 15.2 1.0
O A:HOH461 3.7 25.1 1.0
C A:PRO80 3.7 18.4 1.0
CA A:TYR81 3.8 17.0 1.0
O A:HOH667 4.2 35.6 1.0
N A:ALA105 4.2 14.9 1.0
OE1 A:GLN108 4.5 20.7 1.0
O A:ALA101 4.8 18.6 1.0
C A:ASP104 4.9 17.5 1.0
O A:HOH594 4.9 30.5 1.0
O A:PRO80 4.9 16.9 1.0
N A:PRO80 5.0 19.0 1.0
C A:ALA105 5.0 13.1 1.0

Chlorine binding site 3 out of 6 in 4pxy

Go back to Chlorine Binding Sites List in 4pxy
Chlorine binding site 3 out of 6 in the Crystal Structure of A Hypothetical Protein (BACUNI_01602) From Bacteroides Uniformis Atcc 8492 at 1.50 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_01602) From Bacteroides Uniformis Atcc 8492 at 1.50 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl312

b:35.1
occ:1.00
 O A:HOH415 2.7 14.6 1.0
O A:HOH489 2.8 22.2 1.0
NH1 A:ARG253 3.0 12.8 1.0
CD A:ARG253 3.6 13.2 1.0
CG A:ARG253 3.7 12.1 1.0
N A:TRP254 4.0 11.4 1.0
CA A:TRP254 4.0 10.7 1.0
CZ A:ARG253 4.0 12.6 1.0
C A:ARG253 4.0 11.1 1.0
CB A:ARG253 4.1 10.9 1.0
O A:ARG253 4.2 11.3 1.0
NE A:ARG253 4.2 12.7 1.0
OG A:SER257 4.2 12.9 1.0
CB A:PRO163 4.3 15.2 1.0
CB A:TRP254 4.5 10.2 1.0
CB A:SER257 4.5 11.6 1.0
CA A:ARG253 4.7 10.8 1.0
CD1 A:TRP254 4.9 12.9 1.0
O A:PRO163 5.0 14.9 1.0
O A:ASN250 5.0 10.8 1.0

Chlorine binding site 4 out of 6 in 4pxy

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Chlorine binding site 4 out of 6 in the Crystal Structure of A Hypothetical Protein (BACUNI_01602) From Bacteroides Uniformis Atcc 8492 at 1.50 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_01602) From Bacteroides Uniformis Atcc 8492 at 1.50 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl308

b:18.6
occ:1.00
 O B:HOH490 2.9 24.2 1.0
O B:HOH548 2.9 29.6 1.0
N B:ALA176 3.2 10.8 1.0
CG B:PRO152 3.7 13.3 1.0
CA B:PRO175 3.8 12.8 1.0
CB B:ALA176 3.8 13.0 1.0
C B:PRO175 4.0 10.3 1.0
CD1 B:ILE240 4.0 14.6 1.0
CB B:PRO175 4.0 16.1 1.0
CD B:PRO152 4.0 12.8 1.0
CA B:ALA176 4.1 12.5 1.0
CB B:PRO152 4.1 10.8 1.0
O B:HOH577 4.3 28.7 1.0
O B:HOH558 4.5 32.6 1.0
N B:PRO152 4.6 9.9 1.0
CA B:PRO152 4.8 9.9 1.0
O B:HOH440 4.9 17.1 1.0

Chlorine binding site 5 out of 6 in 4pxy

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Chlorine binding site 5 out of 6 in the Crystal Structure of A Hypothetical Protein (BACUNI_01602) From Bacteroides Uniformis Atcc 8492 at 1.50 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_01602) From Bacteroides Uniformis Atcc 8492 at 1.50 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl309

b:32.3
occ:1.00
 O B:HOH521 2.8 26.1 1.0
O B:HOH498 2.9 27.6 1.0
N B:TYR81 2.9 14.4 1.0
CB B:TYR81 3.5 16.8 1.0
CB B:ALA105 3.6 14.8 1.0
CA B:PRO80 3.6 15.7 1.0
CA B:ALA105 3.7 14.7 1.0
CB B:PRO80 3.7 16.6 1.0
C B:PRO80 3.7 14.8 1.0
CA B:TYR81 3.8 14.6 1.0
O B:HOH516 3.8 23.6 1.0
O B:HOH624 3.9 39.3 1.0
N B:ALA105 4.2 14.4 1.0
OE1 B:GLN108 4.4 20.6 1.0
O B:ALA101 4.8 17.6 1.0
C B:ASP104 4.9 15.8 1.0
O B:PRO80 4.9 14.5 1.0
CG B:TYR81 4.9 16.8 1.0
C B:TYR81 5.0 17.1 1.0
O B:HOH557 5.0 31.9 1.0
C B:ALA105 5.0 13.8 1.0

Chlorine binding site 6 out of 6 in 4pxy

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Chlorine binding site 6 out of 6 in the Crystal Structure of A Hypothetical Protein (BACUNI_01602) From Bacteroides Uniformis Atcc 8492 at 1.50 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_01602) From Bacteroides Uniformis Atcc 8492 at 1.50 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl310

b:36.4
occ:1.00
 O B:HOH463 2.8 23.8 1.0
O B:HOH420 2.8 16.1 1.0
NH1 B:ARG253 3.0 13.4 1.0
CD B:ARG253 3.6 13.3 1.0
CG B:ARG253 3.7 12.3 1.0
CA B:TRP254 3.9 10.5 1.0
N B:TRP254 3.9 11.0 1.0
C B:ARG253 4.0 11.4 1.0
O B:HOH647 4.0 31.8 1.0
CZ B:ARG253 4.1 12.9 1.0
CB B:ARG253 4.1 11.7 1.0
O B:ARG253 4.2 11.3 1.0
NE B:ARG253 4.2 13.1 1.0
OG B:SER257 4.3 14.0 1.0
CB B:PRO163 4.4 15.0 1.0
CB B:TRP254 4.4 10.9 1.0
CB B:SER257 4.5 13.6 1.0
CA B:ARG253 4.7 10.3 1.0
CD1 B:TRP254 4.8 13.3 1.0
O B:ASN250 5.0 11.7 1.0

Reference:

Joint Center For Structural Genomics (Jcsg), Joint Center For Structural Genomics (Jcsg). N/A N/A.
Page generated: Fri Jul 26 00:13:01 2024

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