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Chlorine in PDB 4io1: Crystal Structure of Ribose-5-Isomerase A From Francisella Tularensis

Enzymatic activity of Crystal Structure of Ribose-5-Isomerase A From Francisella Tularensis

All present enzymatic activity of Crystal Structure of Ribose-5-Isomerase A From Francisella Tularensis:
5.3.1.6;

Protein crystallography data

The structure of Crystal Structure of Ribose-5-Isomerase A From Francisella Tularensis, PDB code: 4io1 was solved by R.Rostankowski, C.Nakka, S.Grimshaw, D.Borek, Z.Otwinowski, Center Forstructural Genomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 36.63 / 1.65
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 36.281, 85.765, 70.634, 90.00, 94.52, 90.00
R / Rfree (%) 14.8 / 18.2

Other elements in 4io1:

The structure of Crystal Structure of Ribose-5-Isomerase A From Francisella Tularensis also contains other interesting chemical elements:

Bromine (Br) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Ribose-5-Isomerase A From Francisella Tularensis (pdb code 4io1). 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 Ribose-5-Isomerase A From Francisella Tularensis, PDB code: 4io1:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 4io1

Go back to Chlorine Binding Sites List in 4io1
Chlorine binding site 1 out of 6 in the Crystal Structure of Ribose-5-Isomerase A 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 Ribose-5-Isomerase A From Francisella Tularensis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:18.9
occ:1.00
 OE2 A:GLU109 3.1 22.2 1.0
O A:HOH536 3.1 24.8 1.0
N A:GLY103 3.2 19.7 1.0
O A:HOH427 3.3 18.2 1.0
N A:ALA105 3.4 16.9 1.0
CA A:GLY101 3.5 12.2 1.0
CA A:GLY103 3.5 20.3 1.0
C A:GLY103 3.6 20.9 1.0
N A:ALA104 3.6 18.3 1.0
OE1 A:GLU109 3.7 19.7 1.0
C A:GLY101 3.7 14.4 1.0
CD A:GLU109 3.7 19.9 1.0
N A:GLY101 3.8 14.8 1.0
N A:GLY102 3.9 19.4 1.0
CB A:ALA105 4.0 16.4 1.0
CA A:ALA105 4.1 14.5 1.0
O A:GLY103 4.2 23.5 1.0
O A:GLY101 4.2 16.9 1.0
N A:LEU106 4.3 15.7 1.0
C A:ALA105 4.3 15.0 1.0
C A:GLY102 4.3 22.6 1.0
C A:ALA104 4.4 19.8 1.0
CA A:ALA104 4.5 17.8 1.0
CG2 A:THR34 4.7 19.9 1.0
CA A:GLY102 4.7 20.1 1.0
O A:HOH450 4.9 19.2 1.0
CB A:THR34 4.9 20.5 1.0

Chlorine binding site 2 out of 6 in 4io1

Go back to Chlorine Binding Sites List in 4io1
Chlorine binding site 2 out of 6 in the Crystal Structure of Ribose-5-Isomerase A 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 Ribose-5-Isomerase A From Francisella Tularensis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:24.4
occ:1.00
 N A:LEU186 3.3 15.3 1.0
C A:ASN184 3.4 17.9 1.0
CB A:ASN184 3.4 23.3 1.0
CA A:ASN184 3.5 20.6 1.0
N A:PRO185 3.6 18.8 1.0
CB A:LEU186 3.7 18.1 1.0
N A:LYS187 3.7 16.3 1.0
O A:ASN184 3.8 20.1 1.0
CA A:LEU186 3.9 13.8 1.0
CD A:PRO185 3.9 27.0 1.0
CD1 A:LEU186 4.0 31.4 1.0
OD1 A:ASN184 4.2 42.0 1.0
C A:PRO185 4.2 15.7 1.0
C A:LEU186 4.3 13.7 1.0
CG A:ASN184 4.3 36.7 1.0
CA A:PRO185 4.5 17.0 1.0
CG A:LEU186 4.5 20.6 1.0
CB A:LYS187 4.6 18.7 1.0
CA A:LYS187 4.8 16.0 1.0
N A:ASN184 4.9 25.8 1.0

Chlorine binding site 3 out of 6 in 4io1

Go back to Chlorine Binding Sites List in 4io1
Chlorine binding site 3 out of 6 in the Crystal Structure of Ribose-5-Isomerase A 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 Ribose-5-Isomerase A From Francisella Tularensis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl303

b:37.6
occ:1.00
 O A:HOH538 2.5 40.0 1.0
NH1 A:ARG146 3.2 48.1 1.0
O A:HOH471 3.7 25.7 1.0
CG A:ARG146 3.8 31.7 1.0
CD A:ARG146 3.8 30.1 1.0
CD2 A:LEU175 4.0 28.1 1.0
CB A:ALA150 4.2 21.7 1.0
CB A:TYR162 4.2 20.6 1.0
CZ A:ARG146 4.2 41.9 1.0
NE A:ARG146 4.5 35.5 1.0
O A:ARG146 4.6 19.2 1.0
N A:TYR162 4.8 19.8 1.0
C A:ARG146 4.9 19.9 1.0
CA A:SER147 4.9 23.5 0.5
CA A:SER147 5.0 22.7 0.5

Chlorine binding site 4 out of 6 in 4io1

Go back to Chlorine Binding Sites List in 4io1
Chlorine binding site 4 out of 6 in the Crystal Structure of Ribose-5-Isomerase A 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 Ribose-5-Isomerase A From Francisella Tularensis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl304

b:74.8
occ:0.50
 CD2 A:TYR78 4.0 42.8 1.0
CG A:TYR78 4.1 38.0 1.0
CE2 A:TYR78 4.1 44.6 1.0
O A:HOH545 4.2 13.8 1.0
CD1 A:TYR78 4.4 50.0 1.0
CZ A:TYR78 4.4 53.6 1.0
CE1 A:TYR78 4.5 57.4 1.0
CB A:TYR78 4.7 28.1 1.0

Chlorine binding site 5 out of 6 in 4io1

Go back to Chlorine Binding Sites List in 4io1
Chlorine binding site 5 out of 6 in the Crystal Structure of Ribose-5-Isomerase A 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 Ribose-5-Isomerase A From Francisella Tularensis within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl301

b:29.2
occ:1.00
 O B:HOH438 3.2 26.5 1.0
N B:LEU76 3.3 22.1 1.0
O B:HOH416 3.4 14.0 1.0
O B:HOH497 3.5 40.9 1.0
CE A:MET144 3.5 35.2 1.0
OD1 B:ASP75 3.7 49.4 1.0
CA B:ASP75 3.8 26.5 1.0
CB B:LEU76 4.1 24.2 1.0
C B:ASP75 4.1 25.9 1.0
CG B:ASP75 4.2 46.0 1.0
O B:HOH483 4.2 37.2 1.0
SD A:MET144 4.3 33.2 1.0
CA B:LEU76 4.3 20.3 1.0
CB A:MET144 4.3 21.6 1.0
O B:SER57 4.4 29.6 1.0
NH2 B:ARG108 4.5 40.5 1.0
CB B:ASP75 4.5 28.4 1.0
CG1 B:VAL56 4.5 30.6 1.0
O B:VAL74 4.6 26.8 1.0
OD2 B:ASP75 4.9 60.7 1.0
N B:ASP75 4.9 24.1 1.0
CG A:MET144 5.0 28.3 1.0

Chlorine binding site 6 out of 6 in 4io1

Go back to Chlorine Binding Sites List in 4io1
Chlorine binding site 6 out of 6 in the Crystal Structure of Ribose-5-Isomerase A 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 Ribose-5-Isomerase A From Francisella Tularensis within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl302

b:20.4
occ:0.70
 NH2 B:ARG146 3.2 41.7 1.0
CD2 B:LEU175 3.9 26.4 1.0
CG B:ARG146 3.9 21.2 1.0
CD B:ARG146 4.0 21.4 1.0
CB B:ALA150 4.0 17.1 1.0
O B:HOH431 4.1 23.9 1.0
CZ B:ARG146 4.3 27.9 1.0
CB B:TYR162 4.3 22.0 1.0
NE B:ARG146 4.6 31.8 1.0
O B:ARG146 4.7 18.2 1.0
N B:TYR162 4.8 20.9 1.0
OG B:SER147 4.9 16.5 0.5
CA B:SER147 4.9 19.2 0.5
CA B:SER147 4.9 15.4 0.5
C B:ARG146 5.0 14.9 1.0

Reference:

R.Rostankowski, M.Orlikowska, C.Nakka, S.Grimshaw, D.Borek, Z.Otwinowski, Center For Structural Genomics Of Infectious Diseases(Csgid). Structural and Biophysical Studies of Ribose-5-Phosphate Isomerase A From Francisella Tularensis To Be Published.
Page generated: Sun Jul 21 16:54:05 2024

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