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Chlorine in PDB 5yw2: Crystal Structure of Adenine Phosphoribosyltransferase From Francisella Tularensis.

Enzymatic activity of Crystal Structure of Adenine Phosphoribosyltransferase From Francisella Tularensis.

All present enzymatic activity of Crystal Structure of Adenine Phosphoribosyltransferase From Francisella Tularensis.:
2.4.2.7;

Protein crystallography data

The structure of Crystal Structure of Adenine Phosphoribosyltransferase From Francisella Tularensis., PDB code: 5yw2 was solved by G.C.Pavithra, U.A.Ramagopal, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.36 / 2.28
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 54.168, 82.147, 170.119, 90.00, 90.00, 90.00
R / Rfree (%) 20.2 / 25.9

Other elements in 5yw2:

The structure of Crystal Structure of Adenine Phosphoribosyltransferase From Francisella Tularensis. also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Adenine Phosphoribosyltransferase From Francisella Tularensis. (pdb code 5yw2). 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 Adenine Phosphoribosyltransferase From Francisella Tularensis., PDB code: 5yw2:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 5yw2

Go back to Chlorine Binding Sites List in 5yw2
Chlorine binding site 1 out of 8 in the Crystal Structure of Adenine Phosphoribosyltransferase From Francisella Tularensis.


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 Adenine Phosphoribosyltransferase From Francisella Tularensis. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:59.6
occ:1.00
 N A:SER62 3.2 41.1 1.0
NH2 A:ARG63 3.5 34.2 0.4
N A:ARG63 3.5 33.7 0.4
N A:ARG63 3.5 34.3 0.6
CZ A:ARG63 3.6 34.0 0.4
CB A:SER62 3.6 40.2 1.0
NH1 B:ARG83 3.7 35.7 1.0
CG A:ARG63 3.7 38.7 0.6
CA A:SER62 3.8 38.3 1.0
NE A:ARG63 3.9 33.5 0.4
NH2 B:ARG83 3.9 34.9 1.0
CD A:ARG63 4.0 39.7 0.6
NH1 A:ARG63 4.1 34.8 0.4
C A:SER62 4.1 34.5 1.0
CG A:ARG63 4.1 34.2 0.4
C A:GLU61 4.1 46.3 1.0
O A:GLU61 4.2 48.4 1.0
CD A:ARG63 4.2 34.2 0.4
CB A:ARG63 4.3 36.8 0.6
CZ B:ARG83 4.3 34.4 1.0
CB A:ARG63 4.3 33.9 0.4
O A:HOH307 4.3 37.9 1.0
CA A:ARG63 4.5 35.9 0.6
CA A:ARG63 4.5 34.1 0.4
OG A:SER62 4.8 42.9 1.0

Chlorine binding site 2 out of 8 in 5yw2

Go back to Chlorine Binding Sites List in 5yw2
Chlorine binding site 2 out of 8 in the Crystal Structure of Adenine Phosphoribosyltransferase From Francisella Tularensis.


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 Adenine Phosphoribosyltransferase From Francisella Tularensis. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl204

b:50.1
occ:1.00
 NH2 A:ARG83 3.1 39.5 1.0
O B:HOH305 3.2 32.8 1.0
NE B:ARG63 3.2 49.2 1.0
NH2 B:ARG63 3.6 59.7 1.0
CD A:ARG83 3.7 36.0 1.0
CZ B:ARG63 3.8 54.7 1.0
CG2 B:THR27 4.1 29.1 1.0
CZ A:ARG83 4.2 40.2 1.0
CG A:PRO81 4.2 29.5 1.0
CD B:ARG63 4.2 47.2 1.0
CD2 A:LEU88 4.3 33.5 1.0
NE A:ARG83 4.4 39.1 1.0
CG B:ARG63 4.4 43.2 1.0
CG1 B:ILE26 4.5 32.2 1.0
CD1 B:ILE26 4.6 33.0 1.0
CB A:PRO81 4.7 28.2 1.0

Chlorine binding site 3 out of 8 in 5yw2

Go back to Chlorine Binding Sites List in 5yw2
Chlorine binding site 3 out of 8 in the Crystal Structure of Adenine Phosphoribosyltransferase From Francisella Tularensis.


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 Adenine Phosphoribosyltransferase From Francisella Tularensis. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl205

b:55.8
occ:1.00
 N B:SER62 3.2 38.0 1.0
NH1 A:ARG83 3.5 39.5 1.0
N B:ARG63 3.6 34.0 1.0
NH1 B:ARG63 3.6 54.7 1.0
CG B:ARG63 3.7 43.2 1.0
CB B:SER62 3.7 40.0 1.0
NH2 A:ARG83 3.9 39.5 1.0
CA B:SER62 3.9 37.9 1.0
CZ B:ARG63 4.0 54.7 1.0
C B:GLU61 4.1 40.2 1.0
CZ A:ARG83 4.1 40.2 1.0
O B:GLU61 4.2 42.8 1.0
C B:SER62 4.2 34.9 1.0
CB B:ARG63 4.3 38.1 1.0
O B:HOH312 4.3 47.0 1.0
NE B:ARG63 4.4 49.2 1.0
CD B:ARG63 4.4 47.2 1.0
CA B:ARG63 4.5 36.4 1.0
OG B:SER62 4.7 46.7 1.0
NH2 B:ARG63 4.8 59.7 1.0

Chlorine binding site 4 out of 8 in 5yw2

Go back to Chlorine Binding Sites List in 5yw2
Chlorine binding site 4 out of 8 in the Crystal Structure of Adenine Phosphoribosyltransferase From Francisella Tularensis.


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 Adenine Phosphoribosyltransferase From Francisella Tularensis. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl206

b:48.3
occ:1.00
 O A:HOH304 3.1 31.0 1.0
NE A:ARG63 3.3 33.5 0.4
NH2 B:ARG83 3.4 34.9 1.0
NE A:ARG63 3.6 39.8 0.6
CD B:ARG83 4.0 31.2 1.0
CG2 A:THR27 4.1 25.5 1.0
CD A:ARG63 4.1 34.2 0.4
CG1 A:ILE26 4.1 29.9 1.0
NH1 A:ARG63 4.1 34.8 0.4
NH2 A:ARG63 4.1 37.0 0.6
CZ A:ARG63 4.2 34.0 0.4
CG A:ARG63 4.3 34.2 0.4
CG B:PRO81 4.3 26.1 1.0
CZ A:ARG63 4.4 39.6 0.6
CZ B:ARG83 4.4 34.4 1.0
CG A:ARG63 4.4 38.7 0.6
CD1 A:ILE26 4.5 30.3 1.0
CD A:ARG63 4.5 39.7 0.6
CD2 B:LEU88 4.5 28.6 1.0
NE B:ARG83 4.6 33.2 1.0

Chlorine binding site 5 out of 8 in 5yw2

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Chlorine binding site 5 out of 8 in the Crystal Structure of Adenine Phosphoribosyltransferase From Francisella Tularensis.


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 Adenine Phosphoribosyltransferase From Francisella Tularensis. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl202

b:69.4
occ:1.00
 N C:SER62 3.2 46.2 1.0
NH1 D:ARG83 3.3 44.9 1.0
NH2 D:ARG83 3.7 43.9 1.0
N C:ARG63 3.8 44.7 1.0
CB C:SER62 3.8 47.2 1.0
CZ C:ARG63 3.8 67.5 1.0
NH1 C:ARG63 3.8 66.6 1.0
CA C:SER62 4.0 46.6 1.0
CG C:ARG63 4.0 59.2 1.0
CZ D:ARG83 4.0 45.6 1.0
NE C:ARG63 4.0 66.6 1.0
C C:GLU61 4.0 48.8 1.0
O C:GLU61 4.1 51.7 1.0
OG C:SER62 4.2 50.1 1.0
C C:SER62 4.3 45.2 1.0
NH2 C:ARG63 4.4 65.6 1.0
CB C:ARG63 4.4 53.4 1.0
CD C:ARG63 4.6 64.0 1.0
CA C:ARG63 4.7 49.2 1.0

Chlorine binding site 6 out of 8 in 5yw2

Go back to Chlorine Binding Sites List in 5yw2
Chlorine binding site 6 out of 8 in the Crystal Structure of Adenine Phosphoribosyltransferase From Francisella Tularensis.


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 Adenine Phosphoribosyltransferase From Francisella Tularensis. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl203

b:57.4
occ:1.00
 NH2 D:ARG83 3.3 43.9 1.0
NH2 C:ARG63 3.3 65.6 1.0
CD D:ARG83 3.8 40.3 1.0
CD C:ARG63 4.0 64.0 1.0
CG2 C:THR27 4.2 45.7 1.0
CG D:PRO81 4.2 38.0 1.0
CG C:ARG63 4.3 59.2 1.0
CZ D:ARG83 4.3 45.6 1.0
CD2 D:LEU88 4.3 36.8 1.0
CZ C:ARG63 4.4 67.5 1.0
NE D:ARG83 4.5 42.9 1.0
CD1 C:ILE26 4.5 50.5 1.0
NE C:ARG63 4.6 66.6 1.0
CG1 C:ILE26 4.7 49.4 1.0
CB D:PRO81 4.7 36.8 1.0
CD1 C:LEU30 4.8 52.3 1.0

Chlorine binding site 7 out of 8 in 5yw2

Go back to Chlorine Binding Sites List in 5yw2
Chlorine binding site 7 out of 8 in the Crystal Structure of Adenine Phosphoribosyltransferase From Francisella Tularensis.


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 Adenine Phosphoribosyltransferase From Francisella Tularensis. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl201

b:53.6
occ:1.00
 NH2 C:ARG83 3.1 42.6 1.0
O D:HOH309 3.2 32.3 1.0
NE D:ARG63 3.3 57.5 1.0
NH2 D:ARG63 3.4 63.4 1.0
CD C:ARG83 3.8 41.5 1.0
CZ D:ARG63 3.8 61.0 1.0
CD2 C:LEU88 4.1 33.8 1.0
CZ C:ARG83 4.1 43.1 1.0
CG2 D:THR27 4.2 29.8 1.0
CD D:ARG63 4.4 52.7 1.0
NE C:ARG83 4.4 43.4 1.0
CG C:PRO81 4.4 34.3 1.0
CG1 D:ILE26 4.4 30.1 1.0
CG D:ARG63 4.5 46.4 1.0
CD1 D:ILE26 4.7 32.2 1.0
CB C:PRO81 4.8 33.9 1.0
CG C:ARG83 4.9 41.9 1.0

Chlorine binding site 8 out of 8 in 5yw2

Go back to Chlorine Binding Sites List in 5yw2
Chlorine binding site 8 out of 8 in the Crystal Structure of Adenine Phosphoribosyltransferase From Francisella Tularensis.


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 Adenine Phosphoribosyltransferase From Francisella Tularensis. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl204

b:62.6
occ:1.00
 N D:SER62 3.2 47.1 1.0
N D:ARG63 3.5 40.9 1.0
NH1 C:ARG83 3.5 44.1 1.0
NH1 D:ARG63 3.7 58.5 1.0
CB D:SER62 3.7 48.1 1.0
CG D:ARG63 3.8 46.4 1.0
CA D:SER62 3.8 44.5 1.0
NH2 C:ARG83 4.1 42.6 1.0
C D:SER62 4.1 43.0 1.0
C D:GLU61 4.1 49.6 1.0
O D:GLU61 4.2 47.8 1.0
CZ D:ARG63 4.2 61.0 1.0
CD D:ARG63 4.2 52.7 1.0
CZ C:ARG83 4.3 43.1 1.0
CB D:ARG63 4.3 42.6 1.0
OG D:SER62 4.4 53.2 1.0
NE D:ARG63 4.4 57.5 1.0
CA D:ARG63 4.5 40.6 1.0
O D:HOH304 4.6 38.6 1.0
CD C:LYS87 4.9 60.0 1.0
NH2 D:ARG63 5.0 63.4 1.0

Reference:

G.C.Pavithra, U.A.Ramagopal. Crystal Structures of Aprt From Francisella Tularensis - An N-H···N Hydrogen Bond Imparts Adenine Specificity in Adenine Phosporibosyltransferases. Febs J. V. 285 2306 2018.
ISSN: ISSN 1742-4658
PubMed: 29694705
DOI: 10.1111/FEBS.14481
Page generated: Fri Jul 26 21:35:05 2024

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